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

C14H13N3O3 — CID 66600087

IUPAC4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2nonc21
InChIInChI=1S/C14H13N3O3/c1-3-17-13-11(15-20-16-13)12(18)10(14(17)19)9-7-5-4-6-8(9)2/h4-7,18H,3H2,1-2H3
InChIKeyQSAMBPSECCPEIU-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.09
Rot. Bonds2

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

4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one (PubChem CID 66600087) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one
PubChem CID66600087
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2nonc21
InChIInChI=1S/C14H13N3O3/c1-3-17-13-11(15-20-16-13)12(18)10(14(17)19)9-7-5-4-6-8(9)2/h4-7,18H,3H2,1-2H3
InChIKeyQSAMBPSECCPEIU-UHFFFAOYSA-N
XLogP2.09
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one (CID 66600087) is 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one is CCn1c(=O)c(-c2ccccc2C)c(O)c2nonc21.
What is the InChIKey of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
The InChIKey is QSAMBPSECCPEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-3-17-13-11(15-20-16-13)12(18)10(14(17)19)9-7-5-4-6-8(9)2/h4-7,18H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one has a molecular weight of 271.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 66600087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).