N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide

C23H18Cl3F3N4O4 — CID 11433151

About N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide

N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide (PubChem CID 11433151) has the molecular formula C23H18Cl3F3N4O4 and a molecular weight of 577.77 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 11433151
• Molecular Formula: C23H18Cl3F3N4O4
• Molecular Weight: 577.77 g/mol
• Exact Mass: 576.03
• IUPAC Name: N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide
• SMILES: C[C@@H](NC(=O)C1(NC(=O)c2ccon2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)(F)F)cc1Cl
• InChI: InChI=1S/C23H18Cl3F3N4O4/c1-11(31-21(35)22(3-4-22)32-20(34)17-2-5-37-33-17)18-15(25)6-12(9-30-18)14-7-13(24)8-16(26)19(14)36-10-23(27,28)29/h2,5-9,11H,3-4,10H2,1H3,(H,31,35)(H,32,34)/t11-/m1/s1
• InChIKey: LXOUQXGHMIEPFW-LLVKDONJSA-N
• XLogP: 5.78
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.77
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide (CID 11433151) is N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide is C[C@@H](NC(=O)C1(NC(=O)c2ccon2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)(F)F)cc1Cl.

What is the InChIKey of N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide?

The InChIKey is LXOUQXGHMIEPFW-LLVKDONJSA-N. The full InChI is InChI=1S/C23H18Cl3F3N4O4/c1-11(31-21(35)22(3-4-22)32-20(34)17-2-5-37-33-17)18-15(25)6-12(9-30-18)14-7-13(24)8-16(26)19(14)36-10-23(27,28)29/h2,5-9,11H,3-4,10H2,1H3,(H,31,35)(H,32,34)/t11-/m1/s1.

What are the key properties of N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide?

N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 577.77 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(1R)-1-[3-chloro-5-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11433151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).