N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide

C27H35N5O4S — CID 70824230

About N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide

N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 70824230) has the molecular formula C27H35N5O4S and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 70824230
• Molecular Formula: C27H35N5O4S
• Molecular Weight: 525.68 g/mol
• Exact Mass: 525.24
• IUPAC Name: N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
• SMILES: CCCC1CCCN1C(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1
• InChI: InChI=1S/C27H35N5O4S/c1-5-10-22-13-9-14-32(22)25(33)21-15-20(16-23(17-21)31(3)37(4,34)35)24-29-30-26(36-24)27(2,28)18-19-11-7-6-8-12-19/h6-8,11-12,15-17,22H,5,9-10,13-14,18,28H2,1-4H3/t22?,27-/m1/s1
• InChIKey: RVFVTDBDXKXQFR-RZIURPKCSA-N
• XLogP: 3.95
• TPSA: 122.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.68
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide (CID 70824230) is N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide is CCCC1CCCN1C(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1.

What is the InChIKey of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is RVFVTDBDXKXQFR-RZIURPKCSA-N. The full InChI is InChI=1S/C27H35N5O4S/c1-5-10-22-13-9-14-32(22)25(33)21-15-20(16-23(17-21)31(3)37(4,34)35)24-29-30-26(36-24)27(2,28)18-19-11-7-6-8-12-19/h6-8,11-12,15-17,22H,5,9-10,13-14,18,28H2,1-4H3/t22?,27-/m1/s1.

What are the key properties of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?

N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 525.68 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70824230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).