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

C16H13N3O5 — CID 67528996

IUPAC2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ncc2c(-c3ccccc3)noc2c1O)C(=O)O
InChIInChI=1S/C16H13N3O5/c1-8(16(22)23)18-15(21)12-13(20)14-10(7-17-12)11(19-24-14)9-5-3-2-4-6-9/h2-8,20H,1H3,(H,18,21)(H,22,23)
InChIKeyXPVQWEGZBSSNDW-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.80
Rot. Bonds4

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

2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid (PubChem CID 67528996) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid
PubChem CID67528996
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ncc2c(-c3ccccc3)noc2c1O)C(=O)O
InChIInChI=1S/C16H13N3O5/c1-8(16(22)23)18-15(21)12-13(20)14-10(7-17-12)11(19-24-14)9-5-3-2-4-6-9/h2-8,20H,1H3,(H,18,21)(H,22,23)
InChIKeyXPVQWEGZBSSNDW-UHFFFAOYSA-N
XLogP1.80
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
CID 42635757
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
2-[[4-hydroxy-7-(2-methoxyphenoxy)isoquinoline-3-carbonyl]amino]propanoic acid
CID 69329298
methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
CID 66971768
3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 95858995
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879571
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid (CID 67528996) is 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid is CC(NC(=O)c1ncc2c(-c3ccccc3)noc2c1O)C(=O)O.
What is the InChIKey of 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid?
The InChIKey is XPVQWEGZBSSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-8(16(22)23)18-15(21)12-13(20)14-10(7-17-12)11(19-24-14)9-5-3-2-4-6-9/h2-8,20H,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid?
2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid has a molecular weight of 327.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67528996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).