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

C15H14N4O2 — CID 121257253

IUPAC5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole
SMILESCOc1cc(C)cc(-c2ncn(/C=C\c3cnco3)n2)c1
InChIInChI=1S/C15H14N4O2/c1-11-5-12(7-14(6-11)20-2)15-17-9-19(18-15)4-3-13-8-16-10-21-13/h3-10H,1-2H3/b4-3-
InChIKeyBNXDIFOVUKIZOG-ARJAWSKDSA-N
MW282.30 g/mol
LogP2.88
Rot. Bonds4

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

5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole (PubChem CID 121257253) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole
PubChem CID121257253
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole
SMILESCOc1cc(C)cc(-c2ncn(/C=C\c3cnco3)n2)c1
InChIInChI=1S/C15H14N4O2/c1-11-5-12(7-14(6-11)20-2)15-17-9-19(18-15)4-3-13-8-16-10-21-13/h3-10H,1-2H3/b4-3-
InChIKeyBNXDIFOVUKIZOG-ARJAWSKDSA-N
XLogP2.88
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
The IUPAC name of 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole (CID 121257253) is 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole.
What is the SMILES notation for 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
The canonical SMILES for 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole is COc1cc(C)cc(-c2ncn(/C=C\c3cnco3)n2)c1.
What is the InChIKey of 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
The InChIKey is BNXDIFOVUKIZOG-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-5-12(7-14(6-11)20-2)15-17-9-19(18-15)4-3-13-8-16-10-21-13/h3-10H,1-2H3/b4-3-.
What are the key properties of 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole?
5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole has a molecular weight of 282.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole is sourced from PubChem (CID 121257253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).