N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C27H26F3N5O3 — CID 67464355

About N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 67464355) has the molecular formula C27H26F3N5O3 and a molecular weight of 525.53 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 67464355
• Molecular Formula: C27H26F3N5O3
• Molecular Weight: 525.53 g/mol
• Exact Mass: 525.20
• IUPAC Name: N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• SMILES: CN(C(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1)C1CCCCC1
• InChI: InChI=1S/C27H26F3N5O3/c1-34(19-8-4-2-5-9-19)26(37)22(36)17-12-14-18(15-13-17)24-32-25(38-33-24)21-16-31-35(23(21)27(28,29)30)20-10-6-3-7-11-20/h3,6-7,10-16,19,22,36H,2,4-5,8-9H2,1H3
• InChIKey: VWMOZWDXURTPGI-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 97.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.53
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The IUPAC name of N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 67464355) is N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

What is the SMILES notation for N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The canonical SMILES for N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CN(C(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The InChIKey is VWMOZWDXURTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O3/c1-34(19-8-4-2-5-9-19)26(37)22(36)17-12-14-18(15-13-17)24-32-25(38-33-24)21-16-31-35(23(21)27(28,29)30)20-10-6-3-7-11-20/h3,6-7,10-16,19,22,36H,2,4-5,8-9H2,1H3.

What are the key properties of N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 525.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-hydroxy-N-methyl-2-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 67464355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).