2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid

C15H10FN3O5 — CID 42635757

IUPAC2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2c(-c3ccc(F)cc3)noc2c1O
InChIInChI=1S/C15H10FN3O5/c16-8-3-1-7(2-4-8)11-9-5-17-12(13(22)14(9)24-19-11)15(23)18-6-10(20)21/h1-5,22H,6H2,(H,18,23)(H,20,21)
InChIKeyBPFNVRYQMXYQDY-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.55
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid

2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 42635757) has the molecular formula C15H10FN3O5 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID42635757
Molecular FormulaC15H10FN3O5
Molecular Weight331.26 g/mol
Exact Mass331.06
IUPAC Name2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2c(-c3ccc(F)cc3)noc2c1O
InChIInChI=1S/C15H10FN3O5/c16-8-3-1-7(2-4-8)11-9-5-17-12(13(22)14(9)24-19-11)15(23)18-6-10(20)21/h1-5,22H,6H2,(H,18,23)(H,20,21)
InChIKeyBPFNVRYQMXYQDY-UHFFFAOYSA-N
XLogP1.55
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
CID 11845482
2-[(4-hydroxy-[1]benzofuro[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639237
2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879571
2-[[6-[4-(4-fluorophenoxy)phenoxy]-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid
CID 57423251
2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879613
2-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 170066297
1-bromo-7-fluoro-4-hydroxy-2H-isoquinolin-3-one;2-[(6-bromo-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
CID 174562136
2-[[5-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 170066341
4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
CID 123174719
2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
CID 169198623
2-[(4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639238
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid (CID 42635757) is 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc2c(-c3ccc(F)cc3)noc2c1O.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is BPFNVRYQMXYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O5/c16-8-3-1-7(2-4-8)11-9-5-17-12(13(22)14(9)24-19-11)15(23)18-6-10(20)21/h1-5,22H,6H2,(H,18,23)(H,20,21).
What are the key properties of 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 331.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 42635757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).