5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C18H14N6O — CID 146132901

IUPAC5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESC(=C/c1nc(-c2ccc(Cn3cncn3)cc2)no1)\c1cccnc1
InChIInChI=1S/C18H14N6O/c1-2-14(10-19-9-1)5-8-17-22-18(23-25-17)16-6-3-15(4-7-16)11-24-13-20-12-21-24/h1-10,12-13H,11H2/b8-5+
InChIKeyFUPZWCLIVVGGRC-VMPITWQZSA-N
MW330.35 g/mol
LogP2.94
Rot. Bonds5

About 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 146132901) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID146132901
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESC(=C/c1nc(-c2ccc(Cn3cncn3)cc2)no1)\c1cccnc1
InChIInChI=1S/C18H14N6O/c1-2-14(10-19-9-1)5-8-17-22-18(23-25-17)16-6-3-15(4-7-16)11-24-13-20-12-21-24/h1-10,12-13H,11H2/b8-5+
InChIKeyFUPZWCLIVVGGRC-VMPITWQZSA-N
XLogP2.94
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 146132901) is 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is C(=C/c1nc(-c2ccc(Cn3cncn3)cc2)no1)\c1cccnc1.
What is the InChIKey of 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is FUPZWCLIVVGGRC-VMPITWQZSA-N. The full InChI is InChI=1S/C18H14N6O/c1-2-14(10-19-9-1)5-8-17-22-18(23-25-17)16-6-3-15(4-7-16)11-24-13-20-12-21-24/h1-10,12-13H,11H2/b8-5+.
What are the key properties of 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 330.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146132901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).