2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid

C14H9NO4 — CID 136693571

IUPAC2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C14H9NO4/c16-10-4-1-8(2-5-10)13-15-11-7-9(14(17)18)3-6-12(11)19-13/h1-7,16H,(H,17,18)
InChIKeyBGHCDNILSDBMBK-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.90
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid

2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 136693571) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID136693571
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C14H9NO4/c16-10-4-1-8(2-5-10)13-15-11-7-9(14(17)18)3-6-12(11)19-13/h1-7,16H,(H,17,18)
InChIKeyBGHCDNILSDBMBK-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

Analyze 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 11688381
2-[4-(azetidin-1-yl)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 11536661
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carboxylic acid
CID 50849557
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-5-carboxylic acid
CID 58230867
2-(5-bromo-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358149
2-(4-hexoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 18690347
4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid
CID 59831041
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid (CID 136693571) is 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(-c3ccc(O)cc3)nc2c1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is BGHCDNILSDBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-10-4-1-8(2-5-10)13-15-11-7-9(14(17)18)3-6-12(11)19-13/h1-7,16H,(H,17,18).
What are the key properties of 2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid?
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-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-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 136693571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).