3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole

C15H14N6O — CID 138806913

IUPAC3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2-c2ccc3c(c2)nnn3C)on1
InChIInChI=1S/C15H14N6O/c1-3-10-8-14(22-18-10)15-16-6-7-21(15)11-4-5-13-12(9-11)17-19-20(13)2/h4-9H,3H2,1-2H3
InChIKeyQGUJRCRNOVIWAP-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.37
Rot. Bonds3

About 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole

3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole (PubChem CID 138806913) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole
PubChem CID138806913
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2-c2ccc3c(c2)nnn3C)on1
InChIInChI=1S/C15H14N6O/c1-3-10-8-14(22-18-10)15-16-6-7-21(15)11-4-5-13-12(9-11)17-19-20(13)2/h4-9H,3H2,1-2H3
InChIKeyQGUJRCRNOVIWAP-UHFFFAOYSA-N
XLogP2.37
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol
CID 138807117
5-ethyl-1-methylbenzotriazole
CID 20678691
6-ethyl-3-methyltriazolo[4,5-c]pyridine
CID 134228228
3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole
CID 95399076
5-iodo-1-methylbenzotriazole
CID 10061094
[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 56877480
6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 155506882
1-methyl-5-(2-methylpropyl)benzotriazole
CID 59731307
3-ethyl-1-(1-methylbenzotriazol-5-yl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 90013600
3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole
CID 138807759
2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138386691
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole (CID 138806913) is 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole is CCc1cc(-c2nccn2-c2ccc3c(c2)nnn3C)on1.
What is the InChIKey of 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole?
The InChIKey is QGUJRCRNOVIWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-3-10-8-14(22-18-10)15-16-6-7-21(15)11-4-5-13-12(9-11)17-19-20(13)2/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole?
3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole has a molecular weight of 294.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 138806913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).