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

C17H19N2O+ — CID 123455228

IUPAC5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
SMILESCc1ccccc1-c1c2nc(C(C)C)oc2cc[n+]1C
InChIInChI=1S/C17H19N2O/c1-11(2)17-18-15-14(20-17)9-10-19(4)16(15)13-8-6-5-7-12(13)3/h5-11H,1-4H3/q+1
InChIKeyUPXRDUMDLXJGGJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.75
Rot. Bonds2

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

5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium (PubChem CID 123455228) has the molecular formula C17H19N2O+ and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
PubChem CID123455228
Molecular FormulaC17H19N2O+
Molecular Weight267.35 g/mol
Exact Mass267.15
IUPAC Name5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
SMILESCc1ccccc1-c1c2nc(C(C)C)oc2cc[n+]1C
InChIInChI=1S/C17H19N2O/c1-11(2)17-18-15-14(20-17)9-10-19(4)16(15)13-8-6-5-7-12(13)3/h5-11H,1-4H3/q+1
InChIKeyUPXRDUMDLXJGGJ-UHFFFAOYSA-N
XLogP3.75
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.75
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

7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123861351
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium
CID 123983574
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-(2,4-dimethylpentan-3-yl)-2-methyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 155638866
4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274
2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-5-ium
CID 123654475
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
1,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium-2-thione
CID 174213138
5-methyl-4-[1-methyl-3-(4-phenylphenyl)benzimidazol-1-ium-2-yl]-2-propan-2-yl-1,3-benzoxazole
CID 158935614
1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161077986

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium?
The IUPAC name of 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium (CID 123455228) is 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium?
The canonical SMILES for 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium is Cc1ccccc1-c1c2nc(C(C)C)oc2cc[n+]1C.
What is the InChIKey of 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium?
The InChIKey is UPXRDUMDLXJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O/c1-11(2)17-18-15-14(20-17)9-10-19(4)16(15)13-8-6-5-7-12(13)3/h5-11H,1-4H3/q+1.
What are the key properties of 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium?
5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium has a molecular weight of 267.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 123455228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).