5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium

C14H15N2O+ — CID 140964554

IUPAC5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium
SMILESCc1ccccc1-n1c(C)c2occ[n+]2c1C
InChIInChI=1S/C14H15N2O/c1-10-6-4-5-7-13(10)16-11(2)14-15(12(16)3)8-9-17-14/h4-9H,1-3H3/q+1
InChIKeyWBTNOUSYZQKNSH-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.73
Rot. Bonds1

About 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium

5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium (PubChem CID 140964554) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium.

Molecular Properties

Compound Name5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium
PubChem CID140964554
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC Name5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium
SMILESCc1ccccc1-n1c(C)c2occ[n+]2c1C
InChIInChI=1S/C14H15N2O/c1-10-6-4-5-7-13(10)16-11(2)14-15(12(16)3)8-9-17-14/h4-9H,1-3H3/q+1
InChIKeyWBTNOUSYZQKNSH-UHFFFAOYSA-N
XLogP2.73
TPSA22.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(2-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-thione
CID 177128965
1-tert-butyl-3-methyl-2-(2-methylphenyl)imidazo[5,1-b][1,3]benzoxazol-9-ium
CID 140964990
1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3-(trideuteriomethyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964404
5,5-dicyclohexyl-1,3-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964973
3-methyl-2-(2-methylphenyl)-4,4-diphenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964909
1-cyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[5,1-b][1,3]benzoxazol-9-ium
CID 140964907
4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964900
5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
CID 140964687
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128
2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 59016991
5-cyclohexyl-1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964587
methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium?
The IUPAC name of 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium (CID 140964554) is 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium.
What is the SMILES notation for 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium?
The canonical SMILES for 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium is Cc1ccccc1-n1c(C)c2occ[n+]2c1C.
What is the InChIKey of 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium?
The InChIKey is WBTNOUSYZQKNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O/c1-10-6-4-5-7-13(10)16-11(2)14-15(12(16)3)8-9-17-14/h4-9H,1-3H3/q+1.
What are the key properties of 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium?
5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium has a molecular weight of 227.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2-methylphenyl)imidazo[5,1-b][1,3]oxazol-4-ium is sourced from PubChem (CID 140964554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).