3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide

C21H17ClN2O4S — CID 124891742

About 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 124891742) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 124891742
• Molecular Formula: C21H17ClN2O4S
• Molecular Weight: 428.90 g/mol
• Exact Mass: 428.06
• IUPAC Name: 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccsc1)c1ccco1
• InChI: InChI=1S/C21H17ClN2O4S/c1-13-18(19(24-28-13)15-5-2-3-6-16(15)22)20(25)23-12-21(26,14-8-10-29-11-14)17-7-4-9-27-17/h2-11,26H,12H2,1H3,(H,23,25)/t21-/m1/s1
• InChIKey: FXFWHJPICPBOPA-OAQYLSRUSA-N
• XLogP: 4.62
• TPSA: 88.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.90
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 124891742) is 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccsc1)c1ccco1.

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

The InChIKey is FXFWHJPICPBOPA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c1-13-18(19(24-28-13)15-5-2-3-6-16(15)22)20(25)23-12-21(26,14-8-10-29-11-14)17-7-4-9-27-17/h2-11,26H,12H2,1H3,(H,23,25)/t21-/m1/s1.

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

3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 4.62, 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-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 124891742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).