ISDA: 14UQ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1DN1

IUPAC Name: N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(Nc1cnoc1)c1cccs1

InChI: InChI=1S/C8H6N2O2S/c11-8(7-2-1-3-13-7)10-6-4-9-12-5-6/h1-5H,(H,10,11)

InChI Key: TVSFJTPMFLYPRG-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H6 N2 O2 S

Molecular weight: 194.210

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-(1,2-oxazol-4-yl)thiophene-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1conc1)c1cccs1
InChI	InChI	1.06	InChI=1S/C8H6N2O2S/c11-8(7-2-1-3-13-7)10-6-4-9-12-5-6/h1-5H,(H,10,11)
InChIKey	InChI	1.06	TVSFJTPMFLYPRG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1conc1)c2sccc2
SMILES	CACTVS	3.385	O=C(Nc1conc1)c2sccc2
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc(sc1)C(=O)Nc2cnoc2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(sc1)C(=O)Nc2cnoc2