2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C14H10F3N5O2 — CID 126492473

IUPAC2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(OC(F)(F)F)cc(-c2ncn(/C=C\c3nnco3)n2)c1
InChIInChI=1S/C14H10F3N5O2/c1-9-4-10(6-11(5-9)24-14(15,16)17)13-18-7-22(21-13)3-2-12-20-19-8-23-12/h2-8H,1H3/b3-2-
InChIKeyMYGNJGWCZPQWPK-IHWYPQMZSA-N
MW337.26 g/mol
LogP3.16
Rot. Bonds4

About 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 126492473) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID126492473
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(OC(F)(F)F)cc(-c2ncn(/C=C\c3nnco3)n2)c1
InChIInChI=1S/C14H10F3N5O2/c1-9-4-10(6-11(5-9)24-14(15,16)17)13-18-7-22(21-13)3-2-12-20-19-8-23-12/h2-8H,1H3/b3-2-
InChIKeyMYGNJGWCZPQWPK-IHWYPQMZSA-N
XLogP3.16
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 126492473) is 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(OC(F)(F)F)cc(-c2ncn(/C=C\c3nnco3)n2)c1.
What is the InChIKey of 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is MYGNJGWCZPQWPK-IHWYPQMZSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-9-4-10(6-11(5-9)24-14(15,16)17)13-18-7-22(21-13)3-2-12-20-19-8-23-12/h2-8H,1H3/b3-2-.
What are the key properties of 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 337.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[3-methyl-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 126492473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).