N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide

C29H28F6N4O5 — CID 10211340

About N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide

N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide (PubChem CID 10211340) has the molecular formula C29H28F6N4O5 and a molecular weight of 626.55 g/mol. Its IUPAC name is N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide
• PubChem CID: 10211340
• Molecular Formula: C29H28F6N4O5
• Molecular Weight: 626.55 g/mol
• Exact Mass: 626.20
• IUPAC Name: N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide
• SMILES: CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1
• InChI: InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1
• InChIKey: TYUNJJSHOCWVMW-NRFANRHFSA-N
• XLogP: 6.25
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.55
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide?

The IUPAC name of N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide (CID 10211340) is N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide is CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1.

What is the InChIKey of N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide?

The InChIKey is TYUNJJSHOCWVMW-NRFANRHFSA-N. The full InChI is InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1.

What are the key properties of N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide?

N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 626.55 g/mol, XLogP of 6.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(2S)-1-oxo-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 10211340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).