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

C24H21Cl2F3N4O4 — CID 11307467

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

N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 11307467) has the molecular formula C24H21Cl2F3N4O4 and a molecular weight of 557.36 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 11307467
• Molecular Formula: C24H21Cl2F3N4O4
• Molecular Weight: 557.36 g/mol
• Exact Mass: 556.09
• IUPAC Name: N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1
• InChI: InChI=1S/C24H21Cl2F3N4O4/c1-11-5-18(33-37-11)22(34)32-24(3-4-24)23(35)31-12(2)20-17(27)6-13(9-30-20)15-7-14(25)8-16(26)21(15)36-10-19(28)29/h5-9,12,19H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t12-/m1/s1
• InChIKey: GOZXFRIWPRGDRY-GFCCVEGCSA-N
• XLogP: 5.27
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.36
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 11307467) is N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1.

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

The InChIKey is GOZXFRIWPRGDRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H21Cl2F3N4O4/c1-11-5-18(33-37-11)22(34)32-24(3-4-24)23(35)31-12(2)20-17(27)6-13(9-30-20)15-7-14(25)8-16(26)21(15)36-10-19(28)29/h5-9,12,19H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t12-/m1/s1.

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

N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 557.36 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11307467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).