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

C12H11ClN2O2 — CID 1484414

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeySJCRBKORSQPVMS-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.63
Rot. Bonds3

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

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 1484414) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID1484414
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeySJCRBKORSQPVMS-UHFFFAOYSA-N
XLogP2.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(3,4-Dichlorobenzoyl)amino]ethyl]-N-hydroxy-3-isoxazolecarboxamide
CID 135348858
N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]carbonyl}glycine
CID 426788
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
5-Amino-3-(4-chlorophenyl)isoxazole
CID 2104062
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1245472
2-chloro-N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}acetamide
CID 1477188

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 1484414) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is SJCRBKORSQPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 250.69 g/mol, XLogP of 2.63, 3 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]methyl]acetamide is sourced from PubChem (CID 1484414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).