2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid

C14H9NO4 — CID 135957253

IUPAC2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C14H9NO4/c16-10-6-2-1-4-8(10)13-15-12-9(14(17)18)5-3-7-11(12)19-13/h1-7,16H,(H,17,18)
InChIKeyCRLJZJZGYIYVSO-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.90
Rot. Bonds2

About 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid

2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid (PubChem CID 135957253) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
PubChem CID135957253
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C14H9NO4/c16-10-6-2-1-4-8(10)13-15-12-9(14(17)18)5-3-7-11(12)19-13/h1-7,16H,(H,17,18)
InChIKeyCRLJZJZGYIYVSO-UHFFFAOYSA-N
XLogP2.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzamido-3-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158661
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 163113225
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158397
2-(3-bromo-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345978
2-(3,6-dimethylpyridazin-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 104673209
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 10869520
2-(3-fluoro-4-pyridinyl)-1,3-benzoxazole-4-carboxylic acid
CID 81346439
2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazole-4-carboxylic acid
CID 114021961
2-(2-bromo-5-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345820

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid (CID 135957253) is 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid is O=C(O)c1cccc2oc(-c3ccccc3O)nc12.
What is the InChIKey of 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is CRLJZJZGYIYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-10-6-2-1-4-8(10)13-15-12-9(14(17)18)5-3-7-11(12)19-13/h1-7,16H,(H,17,18).
What are the key properties of 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 135957253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).