4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole

C16H21F3N4O — CID 72875365

IUPAC4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CCc1nc(C2CCCC2)nn1CC(F)(F)F
InChIInChI=1S/C16H21F3N4O/c1-10-13(11(2)24-22-10)7-8-14-20-15(12-5-3-4-6-12)21-23(14)9-16(17,18)19/h12H,3-9H2,1-2H3
InChIKeyFBCVUWCPIDHZCP-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.89
Rot. Bonds5

About 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole

4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 72875365) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID72875365
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CCc1nc(C2CCCC2)nn1CC(F)(F)F
InChIInChI=1S/C16H21F3N4O/c1-10-13(11(2)24-22-10)7-8-14-20-15(12-5-3-4-6-12)21-23(14)9-16(17,18)19/h12H,3-9H2,1-2H3
InChIKeyFBCVUWCPIDHZCP-UHFFFAOYSA-N
XLogP3.89
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole (CID 72875365) is 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CCc1nc(C2CCCC2)nn1CC(F)(F)F.
What is the InChIKey of 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FBCVUWCPIDHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-10-13(11(2)24-22-10)7-8-14-20-15(12-5-3-4-6-12)21-23(14)9-16(17,18)19/h12H,3-9H2,1-2H3.
What are the key properties of 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole?
4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 342.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 72875365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).