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

C20H14N4O5 — CID 135879617

IUPAC2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccn2)c2onc(-c3ccccc3)c2c1O
InChIInChI=1S/C20H14N4O5/c25-13(26)10-22-20(28)17-18(27)14-15(11-6-2-1-3-7-11)24-29-19(14)16(23-17)12-8-4-5-9-21-12/h1-9,27H,10H2,(H,22,28)(H,25,26)
InChIKeyXHDVYJAPZVTOED-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.47
Rot. Bonds5

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

2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 135879617) has the molecular formula C20H14N4O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
PubChem CID135879617
Molecular FormulaC20H14N4O5
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Name2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccn2)c2onc(-c3ccccc3)c2c1O
InChIInChI=1S/C20H14N4O5/c25-13(26)10-22-20(28)17-18(27)14-15(11-6-2-1-3-7-11)24-29-19(14)16(23-17)12-8-4-5-9-21-12/h1-9,27H,10H2,(H,22,28)(H,25,26)
InChIKeyXHDVYJAPZVTOED-UHFFFAOYSA-N
XLogP2.47
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879571
2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879613
2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
CID 66703190
2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
CID 42635757
2-[(4-hydroxy-1-pyridin-2-ylsulfanylisoquinoline-3-carbonyl)amino]acetic acid
CID 11772647
2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
CID 91059975
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid
CID 24756983
N-phenacylpyridine-2-carboxamide
CID 64991609
2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid
CID 135973158

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid (CID 135879617) is 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nc(-c2ccccn2)c2onc(-c3ccccc3)c2c1O.
What is the InChIKey of 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is XHDVYJAPZVTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O5/c25-13(26)10-22-20(28)17-18(27)14-15(11-6-2-1-3-7-11)24-29-19(14)16(23-17)12-8-4-5-9-21-12/h1-9,27H,10H2,(H,22,28)(H,25,26).
What are the key properties of 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 390.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 135879617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).