1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine

C13H13N5O — CID 79530381

IUPAC1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine
SMILESCc1ccc(-c2cc(Cn3cc(N)nn3)on2)cc1
InChIInChI=1S/C13H13N5O/c1-9-2-4-10(5-3-9)12-6-11(19-16-12)7-18-8-13(14)15-17-18/h2-6,8H,7,14H2,1H3
InChIKeyVEWAKOHYTCMBOA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.87
Rot. Bonds3

About 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine

1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine (PubChem CID 79530381) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine
PubChem CID79530381
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine
SMILESCc1ccc(-c2cc(Cn3cc(N)nn3)on2)cc1
InChIInChI=1S/C13H13N5O/c1-9-2-4-10(5-3-9)12-6-11(19-16-12)7-18-8-13(14)15-17-18/h2-6,8H,7,14H2,1H3
InChIKeyVEWAKOHYTCMBOA-UHFFFAOYSA-N
XLogP1.87
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine?
The IUPAC name of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine (CID 79530381) is 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine is Cc1ccc(-c2cc(Cn3cc(N)nn3)on2)cc1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine?
The InChIKey is VEWAKOHYTCMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-2-4-10(5-3-9)12-6-11(19-16-12)7-18-8-13(14)15-17-18/h2-6,8H,7,14H2,1H3.
What are the key properties of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine?
1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine has a molecular weight of 255.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]triazol-4-amine is sourced from PubChem (CID 79530381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).