N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C32H35F5N4O3 — CID 166086807

About N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 166086807) has the molecular formula C32H35F5N4O3 and a molecular weight of 618.65 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 166086807
• Molecular Formula: C32H35F5N4O3
• Molecular Weight: 618.65 g/mol
• Exact Mass: 618.26
• IUPAC Name: N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C)(NCC(=O)CC1(NC(=O)c2cc(-c3ccc(F)cc3F)on2)CN(C2CCCCC2)C1)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C32H35F5N4O3/c1-30(2,24-10-6-7-11-25(24)32(35,36)37)38-17-22(42)16-31(18-41(19-31)21-8-4-3-5-9-21)39-29(43)27-15-28(44-40-27)23-13-12-20(33)14-26(23)34/h6-7,10-15,21,38H,3-5,8-9,16-19H2,1-2H3,(H,39,43)
• InChIKey: BYRMOTDSECGJIJ-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.65
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 166086807) is N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is CC(C)(NCC(=O)CC1(NC(=O)c2cc(-c3ccc(F)cc3F)on2)CN(C2CCCCC2)C1)c1ccccc1C(F)(F)F.

What is the InChIKey of N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is BYRMOTDSECGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F5N4O3/c1-30(2,24-10-6-7-11-25(24)32(35,36)37)38-17-22(42)16-31(18-41(19-31)21-8-4-3-5-9-21)39-29(43)27-15-28(44-40-27)23-13-12-20(33)14-26(23)34/h6-7,10-15,21,38H,3-5,8-9,16-19H2,1-2H3,(H,39,43).

What are the key properties of N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 618.65 g/mol, XLogP of 6.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166086807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).