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

C14H13N5O — CID 70847574

IUPAC2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2ncn(/C=C\c3nnco3)n2)c1
InChIInChI=1S/C14H13N5O/c1-10-5-11(2)7-12(6-10)14-15-8-19(18-14)4-3-13-17-16-9-20-13/h3-9H,1-2H3/b4-3-
InChIKeyLXTNYCPVNPGNPC-ARJAWSKDSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds3

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

2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 70847574) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID70847574
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2ncn(/C=C\c3nnco3)n2)c1
InChIInChI=1S/C14H13N5O/c1-10-5-11(2)7-12(6-10)14-15-8-19(18-14)4-3-13-17-16-9-20-13/h3-9H,1-2H3/b4-3-
InChIKeyLXTNYCPVNPGNPC-ARJAWSKDSA-N
XLogP2.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 70847574) is 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.
What is the InChIKey of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is LXTNYCPVNPGNPC-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-5-11(2)7-12(6-10)14-15-8-19(18-14)4-3-13-17-16-9-20-13/h3-9H,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70847574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).