ISDA: 7AU4

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: RY5

IUPAC Name: (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccon1

InChI: InChI=1S/C15H13N3O3/c19-13-15(7-5-10-3-1-2-4-12(10)15)16-14(20)18(13)9-11-6-8-21-17-11/h1-4,6,8H,5,7,9H2,(H,16,20)/t15-/m0/s1

InChI Key: FUZHSDVEUJLVQY-HNNXBMFYSA-N

Physiochemical Descriptor:

Formula: C15 H12 Cl N3 O3

Molecular weight: 317.727

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 22

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1
InChIKey	InChI	1.03	BIZQWNOTOCHPKD-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc2c(CC[C@]23NC(=O)N(Cc4ccon4)C3=O)c1
SMILES	CACTVS	3.385	Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)CCC23C(=O)N(C(=O)N3)Cc4ccon4

Chemical Database Mapping

Database	Reference ID
PubChem	162625287