ISDA: 9IDE

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1I2F

IUPAC Name: 3-cyclopropyl-1,2-oxazol-5-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cc(C2CC2)no1

InChI: InChI=1S/C6H7NO/c1-2-5(1)6-3-4-8-7-6/h3-5H,1-2H2

InChI Key: JICQIUSBYUOAED-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H8 N2 O

Molecular weight: 124.141

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 9

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	3-cyclopropyl-1,2-oxazol-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C6H8N2O/c7-6-3-5(8-9-6)4-1-2-4/h3-4H,1-2,7H2
InChIKey	InChI	1.06	HAFQCGUIQVGCKG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1onc(c1)C2CC2
SMILES	CACTVS	3.385	Nc1onc(c1)C2CC2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(noc1N)C2CC2
SMILES	OpenEye OEToolkits	2.0.7	c1c(noc1N)C2CC2

Chemical Database Mapping