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

C32H32FN5O2 — CID 11713568

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

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 11713568) has the molecular formula C32H32FN5O2 and a molecular weight of 537.64 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-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
• PubChem CID: 11713568
• Molecular Formula: C32H32FN5O2
• Molecular Weight: 537.64 g/mol
• Exact Mass: 537.25
• IUPAC Name: 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
• SMILES: C[C@@H](NC(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(C2(C#N)CCCC2)c1)c1ccc(F)cc1
• InChI: InChI=1S/C32H32FN5O2/c1-21(23-10-12-27(33)13-11-23)36-28(39)24-16-25(18-26(17-24)32(20-34)14-6-7-15-32)29-37-38-30(40-29)31(2,35)19-22-8-4-3-5-9-22/h3-5,8-13,16-18,21H,6-7,14-15,19,35H2,1-2H3,(H,36,39)/t21-,31-/m1/s1
• InChIKey: CMMGLMRXRGRVJF-ROTAYESASA-N
• XLogP: 6.12
• TPSA: 117.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.64
LogP ≤ 5	6.12
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-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?

The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 11713568) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]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-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?

The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(C2(C#N)CCCC2)c1)c1ccc(F)cc1.

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

The InChIKey is CMMGLMRXRGRVJF-ROTAYESASA-N. The full InChI is InChI=1S/C32H32FN5O2/c1-21(23-10-12-27(33)13-11-23)36-28(39)24-16-25(18-26(17-24)32(20-34)14-6-7-15-32)29-37-38-30(40-29)31(2,35)19-22-8-4-3-5-9-22/h3-5,8-13,16-18,21H,6-7,14-15,19,35H2,1-2H3,(H,36,39)/t21-,31-/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-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-cyanocyclopentyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 537.64 g/mol, XLogP of 6.12, 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-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 11713568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).