N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide

C13H13ClN2O2 — CID 110679911

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ocnc2C)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-8-3-4-10(5-11(8)14)16-13(17)6-12-9(2)15-7-18-12/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyMSYSJBHPXLCMHC-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.13
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide (PubChem CID 110679911) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide
PubChem CID110679911
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ocnc2C)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-8-3-4-10(5-11(8)14)16-13(17)6-12-9(2)15-7-18-12/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyMSYSJBHPXLCMHC-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide (CID 110679911) is N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide is Cc1ccc(NC(=O)Cc2ocnc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is MSYSJBHPXLCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-3-4-10(5-11(8)14)16-13(17)6-12-9(2)15-7-18-12/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 264.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 110679911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).