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

C14H9NO5 — CID 163113225

IUPAC5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1c(O)ccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C14H9NO5/c16-8-4-2-1-3-7(8)13-15-12-10(20-13)6-5-9(17)11(12)14(18)19/h1-6,16-17H,(H,18,19)
InChIKeyRSOMHRDRNWTWID-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.60
Rot. Bonds2

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

5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid (PubChem CID 163113225) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
PubChem CID163113225
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1c(O)ccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C14H9NO5/c16-8-4-2-1-3-7(8)13-15-12-10(20-13)6-5-9(17)11(12)14(18)19/h1-6,16-17H,(H,18,19)
InChIKeyRSOMHRDRNWTWID-UHFFFAOYSA-N
XLogP2.60
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
CID 155511013
2-(2-benzamido-3-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158661
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158397
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
2-methyl-1,3-benzoxazole-4,5-dicarboxylic acid
CID 19800639

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid (CID 163113225) is 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid is O=C(O)c1c(O)ccc2oc(-c3ccccc3O)nc12.
What is the InChIKey of 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is RSOMHRDRNWTWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c16-8-4-2-1-3-7(8)13-15-12-10(20-13)6-5-9(17)11(12)14(18)19/h1-6,16-17H,(H,18,19).
What are the key properties of 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid?
5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 163113225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).