N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide

C11H9ClN2O2 — CID 112503051

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H9ClN2O2/c1-7(15)13-11-6-10(14-16-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,15)
InChIKeyHAJBIPVLGJRPGZ-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.95
Rot. Bonds2

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 112503051) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID112503051
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H9ClN2O2/c1-7(15)13-11-6-10(14-16-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,15)
InChIKeyHAJBIPVLGJRPGZ-UHFFFAOYSA-N
XLogP2.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621435
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 110302314
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621439
1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110302343
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 112503109
1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
CID 112503135
(3S)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 35042577
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide (CID 112503051) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide is CC(=O)Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is HAJBIPVLGJRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(15)13-11-6-10(14-16-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,15).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 236.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 112503051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).