2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide

C12H11ClN2O3 — CID 8986163

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NC1CC1
InChIInChI=1S/C12H11ClN2O3/c13-7-1-4-9-10(5-7)18-12(17)15(9)6-11(16)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,16)
InChIKeyIYWVYJBCGAXYRW-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.53
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide (PubChem CID 8986163) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
PubChem CID8986163
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NC1CC1
InChIInChI=1S/C12H11ClN2O3/c13-7-1-4-9-10(5-7)18-12(17)15(9)6-11(16)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,16)
InChIKeyIYWVYJBCGAXYRW-UHFFFAOYSA-N
XLogP1.53
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 51497975
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7046162
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8986591
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide
CID 8986498

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide (CID 8986163) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)NC1CC1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide?
The InChIKey is IYWVYJBCGAXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-7-1-4-9-10(5-7)18-12(17)15(9)6-11(16)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,16).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide has a molecular weight of 266.68 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 8986163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).