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

C10H13N3O2 — CID 103388877

IUPAC5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
SMILESCC(CN)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O2/c1-6(5-11)12-7-2-3-9-8(4-7)13-10(14)15-9/h2-4,6,12H,5,11H2,1H3,(H,13,14)
InChIKeyPBECUFOBEUSKNH-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.88
Rot. Bonds3

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

5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 103388877) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
PubChem CID103388877
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
SMILESCC(CN)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O2/c1-6(5-11)12-7-2-3-9-8(4-7)13-10(14)15-9/h2-4,6,12H,5,11H2,1H3,(H,13,14)
InChIKeyPBECUFOBEUSKNH-UHFFFAOYSA-N
XLogP0.88
TPSA84.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminopropan-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-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
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-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 103388876
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
5-(1,3-diamino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116933145
5-[2,3-diaminopropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115119595
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741517

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one (CID 103388877) is 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one is CC(CN)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is PBECUFOBEUSKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(5-11)12-7-2-3-9-8(4-7)13-10(14)15-9/h2-4,6,12H,5,11H2,1H3,(H,13,14).
What are the key properties of 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one?
5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 103388877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).