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

C15H13ClN4O3 — CID 119050714

IUPAC2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(-c2c(-c3ccccc3Cl)noc2C)n1
InChIInChI=1S/C15H13ClN4O3/c1-8-13(15-18-11(19-23-15)7-12(21)17-2)14(20-22-8)9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeyOIWODCZLVMIIPS-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.64
Rot. Bonds4

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

2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 119050714) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID119050714
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(-c2c(-c3ccccc3Cl)noc2C)n1
InChIInChI=1S/C15H13ClN4O3/c1-8-13(15-18-11(19-23-15)7-12(21)17-2)14(20-22-8)9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeyOIWODCZLVMIIPS-UHFFFAOYSA-N
XLogP2.64
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide 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 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 119050714) is 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(-c2c(-c3ccccc3Cl)noc2C)n1.
What is the InChIKey of 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is OIWODCZLVMIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-8-13(15-18-11(19-23-15)7-12(21)17-2)14(20-22-8)9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H,17,21).
What are the key properties of 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 332.75 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 119050714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).