5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole

C14H18N6O — CID 70774077

IUPAC5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cc(-c3nccn3C)nn2)on1
InChIInChI=1S/C14H18N6O/c1-10(2)6-11-7-12(21-17-11)8-20-9-13(16-18-20)14-15-4-5-19(14)3/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyUCUUOXOZRNGLKS-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.91
Rot. Bonds5

About 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole

5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole (PubChem CID 70774077) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole
PubChem CID70774077
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cc(-c3nccn3C)nn2)on1
InChIInChI=1S/C14H18N6O/c1-10(2)6-11-7-12(21-17-11)8-20-9-13(16-18-20)14-15-4-5-19(14)3/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyUCUUOXOZRNGLKS-UHFFFAOYSA-N
XLogP1.91
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-ethyl-4-{1-[(3-ethylisoxazol-5-yl)methyl]-1H-imidazol-2-yl}pyrimidine
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1-[(3-ethylisoxazol-5-yl)carbonyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
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CID 132416955
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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole (CID 70774077) is 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole is CC(C)Cc1cc(Cn2cc(-c3nccn3C)nn2)on1.
What is the InChIKey of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
The InChIKey is UCUUOXOZRNGLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10(2)6-11-7-12(21-17-11)8-20-9-13(16-18-20)14-15-4-5-19(14)3/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole has a molecular weight of 286.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 70774077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).