3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide

C23H18ClN3O3 — CID 90596115

About 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 90596115) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 90596115
• Molecular Formula: C23H18ClN3O3
• Molecular Weight: 419.87 g/mol
• Exact Mass: 419.10
• IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(Oc2ccccn2)c1
• InChI: InChI=1S/C23H18ClN3O3/c1-15-21(22(27-30-15)18-9-2-3-10-19(18)24)23(28)26-14-16-7-6-8-17(13-16)29-20-11-4-5-12-25-20/h2-13H,14H2,1H3,(H,26,28)
• InChIKey: GJIKNFZQJZXEPJ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.87
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide (CID 90596115) is 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(Oc2ccccn2)c1.

What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide?

The InChIKey is GJIKNFZQJZXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-15-21(22(27-30-15)18-9-2-3-10-19(18)24)23(28)26-14-16-7-6-8-17(13-16)29-20-11-4-5-12-25-20/h2-13H,14H2,1H3,(H,26,28).

What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90596115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).