3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

C32H30F3N5O2 — CID 11497873

About 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (PubChem CID 11497873) has the molecular formula C32H30F3N5O2 and a molecular weight of 573.62 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
• PubChem CID: 11497873
• Molecular Formula: C32H30F3N5O2
• Molecular Weight: 573.62 g/mol
• Exact Mass: 573.24
• IUPAC Name: 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
• SMILES: C[C@@](N)(Cc1ccccc1)c1nnc(-c2cc(C(=O)NC(c3ccccc3)C(F)(F)F)cc(C3(C#N)CCCC3)c2)o1
• InChI: InChI=1S/C32H30F3N5O2/c1-30(37,19-21-10-4-2-5-11-21)29-40-39-28(42-29)24-16-23(17-25(18-24)31(20-36)14-8-9-15-31)27(41)38-26(32(33,34)35)22-12-6-3-7-13-22/h2-7,10-13,16-18,26H,8-9,14-15,19,37H2,1H3,(H,38,41)/t26?,30-/m1/s1
• InChIKey: MUHICKKYKVDIKD-NPRFROTHSA-N
• XLogP: 6.52
• TPSA: 117.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.62
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?

The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (CID 11497873) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.

What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?

The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is C[C@@](N)(Cc1ccccc1)c1nnc(-c2cc(C(=O)NC(c3ccccc3)C(F)(F)F)cc(C3(C#N)CCCC3)c2)o1.

What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?

The InChIKey is MUHICKKYKVDIKD-NPRFROTHSA-N. The full InChI is InChI=1S/C32H30F3N5O2/c1-30(37,19-21-10-4-2-5-11-21)29-40-39-28(42-29)24-16-23(17-25(18-24)31(20-36)14-8-9-15-31)27(41)38-26(32(33,34)35)22-12-6-3-7-13-22/h2-7,10-13,16-18,26H,8-9,14-15,19,37H2,1H3,(H,38,41)/t26?,30-/m1/s1.

What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide has a molecular weight of 573.62 g/mol, XLogP of 6.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is sourced from PubChem (CID 11497873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).