2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide

C12H14N2O3 — CID 4051540

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-8(2)13-11(15)7-14-9-5-3-4-6-10(9)17-12(14)16/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyJVCRBUZAEDNYNV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.12
Rot. Bonds3

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 4051540) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
PubChem CID4051540
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-8(2)13-11(15)7-14-9-5-3-4-6-10(9)17-12(14)16/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyJVCRBUZAEDNYNV-UHFFFAOYSA-N
XLogP1.12
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30872826
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855778
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 4839889
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide (CID 4051540) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is JVCRBUZAEDNYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(2)13-11(15)7-14-9-5-3-4-6-10(9)17-12(14)16/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 234.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 4051540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).