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

C14H12N2O3 — CID 110006022

IUPAC3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1ccc(CO)cc1
InChIInChI=1S/C14H12N2O3/c17-9-11-5-3-10(4-6-11)8-16-13-12(19-14(16)18)2-1-7-15-13/h1-7,17H,8-9H2
InChIKeyFSQSYEFVMBGUEL-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.53
Rot. Bonds3

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

3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 110006022) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID110006022
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1ccc(CO)cc1
InChIInChI=1S/C14H12N2O3/c17-9-11-5-3-10(4-6-11)8-16-13-12(19-14(16)18)2-1-7-15-13/h1-7,17H,8-9H2
InChIKeyFSQSYEFVMBGUEL-UHFFFAOYSA-N
XLogP1.53
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 106698884
3-[(4-bromo-3-nitrophenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115557909
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 103057431
2-fluoro-3-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzenecarbothioamide
CID 107115897
3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71973389
3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 110005318
3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58485971

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 110006022) is 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1Cc1ccc(CO)cc1.
What is the InChIKey of 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is FSQSYEFVMBGUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-9-11-5-3-10(4-6-11)8-16-13-12(19-14(16)18)2-1-7-15-13/h1-7,17H,8-9H2.
What are the key properties of 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 110006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).