5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine

C14H14N6O — CID 6263839

IUPAC5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
SMILESCc1ccc(-n2nnnc2/C=C/Nc2cc(C)on2)cc1
InChIInChI=1S/C14H14N6O/c1-10-3-5-12(6-4-10)20-14(16-18-19-20)7-8-15-13-9-11(2)21-17-13/h3-9H,1-2H3,(H,15,17)/b8-7+
InChIKeyXWLUHVJTTGMODH-BQYQJAHWSA-N
MW282.31 g/mol
LogP2.35
Rot. Bonds4

About 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine

5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine (PubChem CID 6263839) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
PubChem CID6263839
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
SMILESCc1ccc(-n2nnnc2/C=C/Nc2cc(C)on2)cc1
InChIInChI=1S/C14H14N6O/c1-10-3-5-12(6-4-10)20-14(16-18-19-20)7-8-15-13-9-11(2)21-17-13/h3-9H,1-2H3,(H,15,17)/b8-7+
InChIKeyXWLUHVJTTGMODH-BQYQJAHWSA-N
XLogP2.35
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine (CID 6263839) is 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine is Cc1ccc(-n2nnnc2/C=C/Nc2cc(C)on2)cc1.
What is the InChIKey of 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine?
The InChIKey is XWLUHVJTTGMODH-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14N6O/c1-10-3-5-12(6-4-10)20-14(16-18-19-20)7-8-15-13-9-11(2)21-17-13/h3-9H,1-2H3,(H,15,17)/b8-7+.
What are the key properties of 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine?
5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine has a molecular weight of 282.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 6263839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).