2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid

C20H13N3O5 — CID 25158397

IUPAC2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccn1
InChIInChI=1S/C20H13N3O5/c24-14-8-3-5-11(16(14)22-18(25)13-7-1-2-10-21-13)19-23-17-12(20(26)27)6-4-9-15(17)28-19/h1-10,24H,(H,22,25)(H,26,27)
InChIKeyWDQVUGOMNDABBX-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.55
Rot. Bonds4

About 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid

2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid (PubChem CID 25158397) has the molecular formula C20H13N3O5 and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
PubChem CID25158397
Molecular FormulaC20H13N3O5
Molecular Weight375.34 g/mol
Exact Mass375.09
IUPAC Name2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccn1
InChIInChI=1S/C20H13N3O5/c24-14-8-3-5-11(16(14)22-18(25)13-7-1-2-10-21-13)19-23-17-12(20(26)27)6-4-9-15(17)28-19/h1-10,24H,(H,22,25)(H,26,27)
InChIKeyWDQVUGOMNDABBX-UHFFFAOYSA-N
XLogP3.55
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-benzamido-3-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158661
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
CID 25157807
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158920
2-(3-bromo-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345978
2-(3-fluoro-4-pyridinyl)-1,3-benzoxazole-4-carboxylic acid
CID 81346439
2-(5-chloro-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 82890846
2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 10869520
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
2-(3,6-dimethylpyridazin-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 104673209

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid (CID 25158397) is 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid is O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccn1.
What is the InChIKey of 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is WDQVUGOMNDABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O5/c24-14-8-3-5-11(16(14)22-18(25)13-7-1-2-10-21-13)19-23-17-12(20(26)27)6-4-9-15(17)28-19/h1-10,24H,(H,22,25)(H,26,27).
What are the key properties of 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid?
2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 375.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 25158397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).