N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

C23H19ClF4N4O3 — CID 10128412

About N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide (PubChem CID 10128412) has the molecular formula C23H19ClF4N4O3 and a molecular weight of 510.88 g/mol. Its IUPAC name is N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
• PubChem CID: 10128412
• Molecular Formula: C23H19ClF4N4O3
• Molecular Weight: 510.88 g/mol
• Exact Mass: 510.11
• IUPAC Name: N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
• SMILES: Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1
• InChI: InChI=1S/C23H19ClF4N4O3/c1-11(29-20(33)22(7-8-22)31-21(34)23(26,27)28)15-5-3-13(9-18(15)25)17-10-14(24)4-6-16(17)19-30-12(2)35-32-19/h3-6,9-11H,7-8H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1
• InChIKey: POJZISRDDSYGLT-LLVKDONJSA-N
• XLogP: 4.89
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.88
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

The IUPAC name of N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide (CID 10128412) is N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

The canonical SMILES for N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide is Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1.

What is the InChIKey of N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

The InChIKey is POJZISRDDSYGLT-LLVKDONJSA-N. The full InChI is InChI=1S/C23H19ClF4N4O3/c1-11(29-20(33)22(7-8-22)31-21(34)23(26,27)28)15-5-3-13(9-18(15)25)17-10-14(24)4-6-16(17)19-30-12(2)35-32-19/h3-6,9-11H,7-8H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1.

What are the key properties of N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide has a molecular weight of 510.88 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 10128412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).