5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole

C16H15F3N4O — CID 166368425

IUPAC5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole
SMILESCCc1nc(-c2oncc2C)n(-c2ccc(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N4O/c1-4-13-21-15(14-10(3)8-20-24-14)23(22-13)11-6-5-9(2)12(7-11)16(17,18)19/h5-8H,4H2,1-3H3
InChIKeyQMQBTODXGOWCSD-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.12
Rot. Bonds3

About 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole

5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole (PubChem CID 166368425) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole
PubChem CID166368425
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole
SMILESCCc1nc(-c2oncc2C)n(-c2ccc(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N4O/c1-4-13-21-15(14-10(3)8-20-24-14)23(22-13)11-6-5-9(2)12(7-11)16(17,18)19/h5-8H,4H2,1-3H3
InChIKeyQMQBTODXGOWCSD-UHFFFAOYSA-N
XLogP4.12
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole?
The IUPAC name of 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole (CID 166368425) is 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole is CCc1nc(-c2oncc2C)n(-c2ccc(C)c(C(F)(F)F)c2)n1.
What is the InChIKey of 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole?
The InChIKey is QMQBTODXGOWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-4-13-21-15(14-10(3)8-20-24-14)23(22-13)11-6-5-9(2)12(7-11)16(17,18)19/h5-8H,4H2,1-3H3.
What are the key properties of 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole?
5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole has a molecular weight of 336.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole is sourced from PubChem (CID 166368425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).