2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium

C15H15N2O+ — CID 123379683

IUPAC2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
SMILESCc1nc2cc[n+](C)c(-c3ccccc3C)c2o1
InChIInChI=1S/C15H15N2O/c1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15/h4-9H,1-3H3/q+1
InChIKeyKEZHRMBSRPIFHP-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.94
Rot. Bonds1

About 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium

2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium (PubChem CID 123379683) has the molecular formula C15H15N2O+ and a molecular weight of 239.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
PubChem CID123379683
Molecular FormulaC15H15N2O+
Molecular Weight239.30 g/mol
Exact Mass239.12
IUPAC Name2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
SMILESCc1nc2cc[n+](C)c(-c3ccccc3C)c2o1
InChIInChI=1S/C15H15N2O/c1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15/h4-9H,1-3H3/q+1
InChIKeyKEZHRMBSRPIFHP-UHFFFAOYSA-N
XLogP2.94
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.94
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

2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
1,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium-2-thione
CID 174213138
5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 123455228
4-methyl-3-(2-methylphenyl)-1,8-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 140889698
2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 158004437
6,6-dideuterio-2-methyl-1-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
CID 140944399
2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole
CID 82125407
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161077986
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
5-cyclohexyl-14-methyl-15-(2-methylphenyl)-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 140871484
7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123861351

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium?
The IUPAC name of 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium (CID 123379683) is 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium.
What is the SMILES notation for 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium?
The canonical SMILES for 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium is Cc1nc2cc[n+](C)c(-c3ccccc3C)c2o1.
What is the InChIKey of 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium?
The InChIKey is KEZHRMBSRPIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O/c1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15/h4-9H,1-3H3/q+1.
What are the key properties of 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium?
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium has a molecular weight of 239.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium is sourced from PubChem (CID 123379683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).