2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide

C32H26F3N3O4 — CID 11342155

About 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide

2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11342155) has the molecular formula C32H26F3N3O4 and a molecular weight of 573.57 g/mol. Its IUPAC name is 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 11342155
• Molecular Formula: C32H26F3N3O4
• Molecular Weight: 573.57 g/mol
• Exact Mass: 573.19
• IUPAC Name: 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1noc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)n1
• InChI: InChI=1S/C32H26F3N3O4/c1-20-36-31(42-38-20)28(17-21-7-14-26(15-8-21)41-19-22-5-3-2-4-6-22)37-30(40)27-18-24(11-16-29(27)39)23-9-12-25(13-10-23)32(33,34)35/h2-16,18,28,39H,17,19H2,1H3,(H,37,40)/t28-/m0/s1
• InChIKey: LWFWOJXMIXAHHN-NDEPHWFRSA-N
• XLogP: 7.06
• TPSA: 97.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.57
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide (CID 11342155) is 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide is Cc1noc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)n1.

What is the InChIKey of 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is LWFWOJXMIXAHHN-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H26F3N3O4/c1-20-36-31(42-38-20)28(17-21-7-14-26(15-8-21)41-19-22-5-3-2-4-6-22)37-30(40)27-18-24(11-16-29(27)39)23-9-12-25(13-10-23)32(33,34)35/h2-16,18,28,39H,17,19H2,1H3,(H,37,40)/t28-/m0/s1.

What are the key properties of 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 573.57 g/mol, XLogP of 7.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylmethoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11342155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).