[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C23H16ClF3N4O4 — CID 134152326

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 134152326) has the molecular formula C23H16ClF3N4O4 and a molecular weight of 504.85 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• PubChem CID: 134152326
• Molecular Formula: C23H16ClF3N4O4
• Molecular Weight: 504.85 g/mol
• Exact Mass: 504.08
• IUPAC Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1
• InChI: InChI=1S/C23H16ClF3N4O4/c1-12-18(19(29-34-12)13-6-2-4-8-15(13)24)22(32)31-11-10-16(31)21-28-20(30-35-21)14-7-3-5-9-17(14)33-23(25,26)27/h2-9,16H,10-11H2,1H3/t16-/m0/s1
• InChIKey: FXZGPFINMOYGHP-INIZCTEOSA-N
• XLogP: 5.84
• TPSA: 94.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.85
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 134152326) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1.

What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

The InChIKey is FXZGPFINMOYGHP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H16ClF3N4O4/c1-12-18(19(29-34-12)13-6-2-4-8-15(13)24)22(32)31-11-10-16(31)21-28-20(30-35-21)14-7-3-5-9-17(14)33-23(25,26)27/h2-9,16H,10-11H2,1H3/t16-/m0/s1.

What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 504.85 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 134152326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).