2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine

C15H14N2O — CID 82338039

IUPAC2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nc3c(C)ccnc3o2)cc1C
InChIInChI=1S/C15H14N2O/c1-9-4-5-12(8-11(9)3)14-17-13-10(2)6-7-16-15(13)18-14/h4-8H,1-3H3
InChIKeyMKHSMIKGIDZOLE-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.82
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine

2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82338039) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82338039
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nc3c(C)ccnc3o2)cc1C
InChIInChI=1S/C15H14N2O/c1-9-4-5-12(8-11(9)3)14-17-13-10(2)6-7-16-15(13)18-14/h4-8H,1-3H3
InChIKeyMKHSMIKGIDZOLE-UHFFFAOYSA-N
XLogP3.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337689
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337467
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole
CID 143181907
[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 95915885
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
5-(3,4-dimethylphenyl)-1,3,4-oxathiazol-2-one
CID 22229254
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 82338039) is 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc(-c2nc3c(C)ccnc3o2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is MKHSMIKGIDZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-4-5-12(8-11(9)3)14-17-13-10(2)6-7-16-15(13)18-14/h4-8H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine?
2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 238.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82338039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).