5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one

C13H16N2O2 — CID 113489813

IUPAC5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
SMILESCC(CC1CC1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-8(6-9-2-3-9)14-10-4-5-12-11(7-10)15-13(16)17-12/h4-5,7-9,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyOSFGQGKKGIGTEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.72
Rot. Bonds4

About 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one

5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 113489813) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
PubChem CID113489813
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
SMILESCC(CC1CC1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-8(6-9-2-3-9)14-10-4-5-12-11(7-10)15-13(16)17-12/h4-5,7-9,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyOSFGQGKKGIGTEH-UHFFFAOYSA-N
XLogP2.72
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
CID 114829036
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741517
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329
5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
CID 65044585
5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741545
4-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile
CID 43741551

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one (CID 113489813) is 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one is CC(CC1CC1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is OSFGQGKKGIGTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(6-9-2-3-9)14-10-4-5-12-11(7-10)15-13(16)17-12/h4-5,7-9,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 113489813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).