2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide

C12H14N2O3 — CID 59333208

IUPAC2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)c1ccc2c(c1)oc(=O)n2CC(N)=O
InChIInChI=1S/C12H14N2O3/c1-7(2)8-3-4-9-10(5-8)17-12(16)14(9)6-11(13)15/h3-5,7H,6H2,1-2H3,(H2,13,15)
InChIKeyNZLNFJKNQSDMQR-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.20
Rot. Bonds3

About 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide

2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide (PubChem CID 59333208) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
PubChem CID59333208
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)c1ccc2c(c1)oc(=O)n2CC(N)=O
InChIInChI=1S/C12H14N2O3/c1-7(2)8-3-4-9-10(5-8)17-12(16)14(9)6-11(13)15/h3-5,7H,6H2,1-2H3,(H2,13,15)
InChIKeyNZLNFJKNQSDMQR-UHFFFAOYSA-N
XLogP1.20
TPSA78.23 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 11680081
2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 62299705
3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
CID 177221157
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
CID 82341277
propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 82357335

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide (CID 59333208) is 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide is CC(C)c1ccc2c(c1)oc(=O)n2CC(N)=O.
What is the InChIKey of 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is NZLNFJKNQSDMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)8-3-4-9-10(5-8)17-12(16)14(9)6-11(13)15/h3-5,7H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide?
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 59333208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).