3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H15ClN4O5 — CID 151182618

About 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 151182618) has the molecular formula C20H15ClN4O5 and a molecular weight of 426.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 151182618
• Molecular Formula: C20H15ClN4O5
• Molecular Weight: 426.82 g/mol
• Exact Mass: 426.07
• IUPAC Name: 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: COc1nn(-c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)c(=O)o1
• InChI: InChI=1S/C20H15ClN4O5/c1-11-16(17(24-30-11)14-5-3-4-6-15(14)21)18(26)22-12-7-9-13(10-8-12)25-20(27)29-19(23-25)28-2/h3-10H,1-2H3,(H,22,26)
• InChIKey: NEPUTMUEZWQFRT-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 112.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.82
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 151182618) is 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1nn(-c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)c(=O)o1.

What is the InChIKey of 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is NEPUTMUEZWQFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O5/c1-11-16(17(24-30-11)14-5-3-4-6-15(14)21)18(26)22-12-7-9-13(10-8-12)25-20(27)29-19(23-25)28-2/h3-10H,1-2H3,(H,22,26).

What are the key properties of 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 426.82 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 151182618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).