2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid

C14H9FN2O4 — CID 106698884

IUPAC2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(=O)oc3cccnc32)cc1F
InChIInChI=1S/C14H9FN2O4/c15-10-6-8(3-4-9(10)13(18)19)7-17-12-11(21-14(17)20)2-1-5-16-12/h1-6H,7H2,(H,18,19)
InChIKeyRSOFAMIYECMQON-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid

2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid (PubChem CID 106698884) has the molecular formula C14H9FN2O4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
PubChem CID106698884
Molecular FormulaC14H9FN2O4
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(=O)oc3cccnc32)cc1F
InChIInChI=1S/C14H9FN2O4/c15-10-6-8(3-4-9(10)13(18)19)7-17-12-11(21-14(17)20)2-1-5-16-12/h1-6H,7H2,(H,18,19)
InChIKeyRSOFAMIYECMQON-UHFFFAOYSA-N
XLogP1.88
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
3-[(4-bromo-3-nitrophenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115557909
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
2-fluoro-3-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzenecarbothioamide
CID 107115897
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71973389
2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid
CID 82060173
N-(3-ethylphenyl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71858085
3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58485971
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71864510
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid (CID 106698884) is 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid is O=C(O)c1ccc(Cn2c(=O)oc3cccnc32)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
The InChIKey is RSOFAMIYECMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4/c15-10-6-8(3-4-9(10)13(18)19)7-17-12-11(21-14(17)20)2-1-5-16-12/h1-6H,7H2,(H,18,19).
What are the key properties of 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid has a molecular weight of 288.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid is sourced from PubChem (CID 106698884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).