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

C15H11F3N4O2 — CID 70814899

IUPAC4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole
SMILESCOc1cc(-c2ncn(C=Cc3cocn3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4O2/c1-23-13-5-10(4-11(6-13)15(16,17)18)14-19-8-22(21-14)3-2-12-7-24-9-20-12/h2-9H,1H3
InChIKeyKJXHAEKOBJZAOT-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.59
Rot. Bonds4

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

4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole (PubChem CID 70814899) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole
PubChem CID70814899
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole
SMILESCOc1cc(-c2ncn(C=Cc3cocn3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4O2/c1-23-13-5-10(4-11(6-13)15(16,17)18)14-19-8-22(21-14)3-2-12-7-24-9-20-12/h2-9H,1H3
InChIKeyKJXHAEKOBJZAOT-UHFFFAOYSA-N
XLogP3.59
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
The IUPAC name of 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole (CID 70814899) is 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole.
What is the SMILES notation for 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
The canonical SMILES for 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole is COc1cc(-c2ncn(C=Cc3cocn3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
The InChIKey is KJXHAEKOBJZAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-23-13-5-10(4-11(6-13)15(16,17)18)14-19-8-22(21-14)3-2-12-7-24-9-20-12/h2-9H,1H3.
What are the key properties of 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole has a molecular weight of 336.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole is sourced from PubChem (CID 70814899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).