3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C15H14N2O2 — CID 2811801

IUPAC3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCc1ccccc1Cn1c(=O)oc2cccnc21
InChIInChI=1S/C15H14N2O2/c1-2-11-6-3-4-7-12(11)10-17-14-13(19-15(17)18)8-5-9-16-14/h3-9H,2,10H2,1H3
InChIKeyXTZVKWCDGUIAAR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 2811801) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID2811801
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCc1ccccc1Cn1c(=O)oc2cccnc21
InChIInChI=1S/C15H14N2O2/c1-2-11-6-3-4-7-12(11)10-17-14-13(19-15(17)18)8-5-9-16-14/h3-9H,2,10H2,1H3
InChIKeyXTZVKWCDGUIAAR-UHFFFAOYSA-N
XLogP2.60
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 2811801) is 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CCc1ccccc1Cn1c(=O)oc2cccnc21.
What is the InChIKey of 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is XTZVKWCDGUIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-11-6-3-4-7-12(11)10-17-14-13(19-15(17)18)8-5-9-16-14/h3-9H,2,10H2,1H3.
What are the key properties of 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 2811801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).