2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

C12H15N3O3 — CID 43710360

IUPAC2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)C(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-6(2)10(13)11(16)14-7-3-4-9-8(5-7)15-12(17)18-9/h3-6,10H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCJSYGYBPMNTLQJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (PubChem CID 43710360) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
PubChem CID43710360
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)C(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-6(2)10(13)11(16)14-7-3-4-9-8(5-7)15-12(17)18-9/h3-6,10H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCJSYGYBPMNTLQJ-UHFFFAOYSA-N
XLogP1.04
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 65225120
(2S)-2-amino-4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide;hydrochloride
CID 119281841
4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019693
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (CID 43710360) is 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is CC(C)C(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is CJSYGYBPMNTLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6(2)10(13)11(16)14-7-3-4-9-8(5-7)15-12(17)18-9/h3-6,10H,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 249.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 43710360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).