4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one

C15H14N2O3 — CID 66600089

IUPAC4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2ncoc21
InChIInChI=1S/C15H14N2O3/c1-3-17-14(19)11(10-7-5-4-6-9(10)2)13(18)12-15(17)20-8-16-12/h4-8,18H,3H2,1-2H3
InChIKeyNCXNUNGJQZBIFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.69
Rot. Bonds2

About 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one

4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one (PubChem CID 66600089) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
PubChem CID66600089
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2ncoc21
InChIInChI=1S/C15H14N2O3/c1-3-17-14(19)11(10-7-5-4-6-9(10)2)13(18)12-15(17)20-8-16-12/h4-8,18H,3H2,1-2H3
InChIKeyNCXNUNGJQZBIFT-UHFFFAOYSA-N
XLogP2.69
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
CID 159252129
4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
CID 52848486
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one;yttrium
CID 159411297
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
6-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400732
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600378
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
CID 66600147

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one?
The IUPAC name of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one (CID 66600089) is 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one.
What is the SMILES notation for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one?
The canonical SMILES for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one is CCn1c(=O)c(-c2ccccc2C)c(O)c2ncoc21.
What is the InChIKey of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one?
The InChIKey is NCXNUNGJQZBIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-3-17-14(19)11(10-7-5-4-6-9(10)2)13(18)12-15(17)20-8-16-12/h4-8,18H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one?
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one has a molecular weight of 270.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one is sourced from PubChem (CID 66600089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).