3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole

C15H14N6O — CID 138807759

IUPAC3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nccn1-c1cccc2c1nnn2C
InChIInChI=1S/C15H14N6O/c1-9-13(10(2)22-18-9)15-16-7-8-21(15)12-6-4-5-11-14(12)17-19-20(11)3/h4-8H,1-3H3
InChIKeyDQBMGMQNSLXWJK-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.43
Rot. Bonds2

About 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole

3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole (PubChem CID 138807759) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole
PubChem CID138807759
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nccn1-c1cccc2c1nnn2C
InChIInChI=1S/C15H14N6O/c1-9-13(10(2)22-18-9)15-16-7-8-21(15)12-6-4-5-11-14(12)17-19-20(11)3/h4-8H,1-3H3
InChIKeyDQBMGMQNSLXWJK-UHFFFAOYSA-N
XLogP2.43
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one
CID 138806067
1-methyl-4-pyrrolidin-1-ylbenzotriazole
CID 168513099
3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
CID 50962318
3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole
CID 138806913
4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
CID 67115835
2-(1-methylbenzotriazol-4-yl)acetic acid
CID 83877625
3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 121293088
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805106
2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 138387378
3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 154305895
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole (CID 138807759) is 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1nccn1-c1cccc2c1nnn2C.
What is the InChIKey of 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole?
The InChIKey is DQBMGMQNSLXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-9-13(10(2)22-18-9)15-16-7-8-21(15)12-6-4-5-11-14(12)17-19-20(11)3/h4-8H,1-3H3.
What are the key properties of 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole has a molecular weight of 294.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 138807759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).