5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole

C24H21ClF3N5O2 — CID 58243525

About 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole

5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 58243525) has the molecular formula C24H21ClF3N5O2 and a molecular weight of 503.91 g/mol. Its IUPAC name is 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole
• PubChem CID: 58243525
• Molecular Formula: C24H21ClF3N5O2
• Molecular Weight: 503.91 g/mol
• Exact Mass: 503.13
• IUPAC Name: 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole
• SMILES: Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1-c1nc(C2CC2)no1
• InChI: InChI=1S/C24H21ClF3N5O2/c1-23(2,22-31-30-20(33(22)3)15-6-4-5-7-17(15)24(26,27)28)34-18-11-10-14(25)12-16(18)21-29-19(32-35-21)13-8-9-13/h4-7,10-13H,8-9H2,1-3H3
• InChIKey: VIMQAYRZTZSRAC-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 78.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.91
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole?

The IUPAC name of 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole (CID 58243525) is 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole?

The canonical SMILES for 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole is Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1-c1nc(C2CC2)no1.

What is the InChIKey of 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole?

The InChIKey is VIMQAYRZTZSRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O2/c1-23(2,22-31-30-20(33(22)3)15-6-4-5-7-17(15)24(26,27)28)34-18-11-10-14(25)12-16(18)21-29-19(32-35-21)13-8-9-13/h4-7,10-13H,8-9H2,1-3H3.

What are the key properties of 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole?

5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 503.91 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 58243525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).