3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C29H22Cl2N4O4 — CID 3443084

About 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3443084) has the molecular formula C29H22Cl2N4O4 and a molecular weight of 561.43 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 3443084
• Molecular Formula: C29H22Cl2N4O4
• Molecular Weight: 561.43 g/mol
• Exact Mass: 560.10
• IUPAC Name: 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
• InChI: InChI=1S/C29H22Cl2N4O4/c1-15-12-13-22(32-28(36)24-16(2)38-34-26(24)18-8-4-6-10-20(18)30)23(14-15)33-29(37)25-17(3)39-35-27(25)19-9-5-7-11-21(19)31/h4-14H,1-3H3,(H,32,36)(H,33,37)
• InChIKey: SABOZWUTUFMRSJ-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.43
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 3443084) is 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1.

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

The InChIKey is SABOZWUTUFMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N4O4/c1-15-12-13-22(32-28(36)24-16(2)38-34-26(24)18-8-4-6-10-20(18)30)23(14-15)33-29(37)25-17(3)39-35-27(25)19-9-5-7-11-21(19)31/h4-14H,1-3H3,(H,32,36)(H,33,37).

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

3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 561.43 g/mol, XLogP of 7.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3443084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).