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

C21H15N3O5 — CID 135879571

IUPAC2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccc2)c2onc(-c3ccccc3)c2c1O
InChIInChI=1S/C21H15N3O5/c25-14(26)11-22-21(28)18-19(27)15-16(12-7-3-1-4-8-12)24-29-20(15)17(23-18)13-9-5-2-6-10-13/h1-10,27H,11H2,(H,22,28)(H,25,26)
InChIKeyQYOPEUUYZMRJMD-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.08
Rot. Bonds5

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

2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 135879571) has the molecular formula C21H15N3O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
PubChem CID135879571
Molecular FormulaC21H15N3O5
Molecular Weight389.37 g/mol
Exact Mass389.10
IUPAC Name2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccc2)c2onc(-c3ccccc3)c2c1O
InChIInChI=1S/C21H15N3O5/c25-14(26)11-22-21(28)18-19(27)15-16(12-7-3-1-4-8-12)24-29-20(15)17(23-18)13-9-5-2-6-10-13/h1-10,27H,11H2,(H,22,28)(H,25,26)
InChIKeyQYOPEUUYZMRJMD-UHFFFAOYSA-N
XLogP3.08
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879613
2-[(4-hydroxy-3-phenyl-7-pyridin-2-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879617
2-[(1-cyano-4-hydroxy-9-methylpyrido[3,4-b]indole-3-carbonyl)amino]acetic acid;2-[(4-hydroxy-9-methyl-1-phenylpyrido[3,4-b]indole-3-carbonyl)amino]acetic acid
CID 159449534
2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
CID 42635757
2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
CID 91059975
ethyl 4-bromo-7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylate
CID 86648121
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[[2-[difluoro-(4-phenylphenyl)methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid
CID 177377328
ethyl 4-ethynyl-7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylate
CID 86648129
2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid
CID 24756983
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
2-[[1-(benzenesulfinyl)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid
CID 11245663

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid (CID 135879571) is 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nc(-c2ccccc2)c2onc(-c3ccccc3)c2c1O.
What is the InChIKey of 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is QYOPEUUYZMRJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5/c25-14(26)11-22-21(28)18-19(27)15-16(12-7-3-1-4-8-12)24-29-20(15)17(23-18)13-9-5-2-6-10-13/h1-10,27H,11H2,(H,22,28)(H,25,26).
What are the key properties of 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 389.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 135879571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).