4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium

C20H17N2O+ — CID 123727172

IUPAC4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium
SMILESCc1ccccc1-c1ccc2nc(-c3ccccc3)oc2[n+]1C
InChIInChI=1S/C20H17N2O/c1-14-8-6-7-11-16(14)18-13-12-17-20(22(18)2)23-19(21-17)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1
InChIKeySAYKAEAHUSGVTH-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.29
Rot. Bonds2

About 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium

4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium (PubChem CID 123727172) has the molecular formula C20H17N2O+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium.

Molecular Properties

Compound Name4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium
PubChem CID123727172
Molecular FormulaC20H17N2O+
Molecular Weight301.37 g/mol
Exact Mass301.13
IUPAC Name4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium
SMILESCc1ccccc1-c1ccc2nc(-c3ccccc3)oc2[n+]1C
InChIInChI=1S/C20H17N2O/c1-14-8-6-7-11-16(14)18-13-12-17-20(22(18)2)23-19(21-17)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1
InChIKeySAYKAEAHUSGVTH-UHFFFAOYSA-N
XLogP4.29
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.29
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-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 160525343
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123931201
2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
CID 123545957
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
CID 166010923
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770
4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123169376
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium?
The IUPAC name of 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium (CID 123727172) is 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium.
What is the SMILES notation for 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium?
The canonical SMILES for 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium is Cc1ccccc1-c1ccc2nc(-c3ccccc3)oc2[n+]1C.
What is the InChIKey of 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium?
The InChIKey is SAYKAEAHUSGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O/c1-14-8-6-7-11-16(14)18-13-12-17-20(22(18)2)23-19(21-17)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1.
What are the key properties of 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium?
4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium has a molecular weight of 301.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium is sourced from PubChem (CID 123727172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).