3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C21H17ClN2O4S — CID 129356056

About 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 129356056) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 129356056
• Molecular Formula: C21H17ClN2O4S
• Molecular Weight: 428.90 g/mol
• Exact Mass: 428.06
• IUPAC Name: 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1
• InChI: InChI=1S/C21H17ClN2O4S/c1-12-19(20(24-28-12)14-4-2-3-5-15(14)22)21(26)23-10-16(25)18-7-6-17(27-18)13-8-9-29-11-13/h2-9,11,16,25H,10H2,1H3,(H,23,26)/t16-/m1/s1
• InChIKey: BQOZKVMHORAVLG-MRXNPFEDSA-N
• XLogP: 5.09
• TPSA: 88.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.90
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 129356056) is 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1.

What is the InChIKey of 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is BQOZKVMHORAVLG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c1-12-19(20(24-28-12)14-4-2-3-5-15(14)22)21(26)23-10-16(25)18-7-6-17(27-18)13-8-9-29-11-13/h2-9,11,16,25H,10H2,1H3,(H,23,26)/t16-/m1/s1.

What are the key properties of 3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 5.09, 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-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 129356056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).