2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid

C21H12N2O5 — CID 135464246

IUPAC2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(-c3cccc4oc(-c5ccccc5O)nc34)nc12
InChIInChI=1S/C21H12N2O5/c24-14-8-2-1-5-11(14)19-22-17-12(6-3-9-15(17)27-19)20-23-18-13(21(25)26)7-4-10-16(18)28-20/h1-10,24H,(H,25,26)
InChIKeyWJXUJNREOOYKAO-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.71
Rot. Bonds3

About 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid

2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid (PubChem CID 135464246) has the molecular formula C21H12N2O5 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid
PubChem CID135464246
Molecular FormulaC21H12N2O5
Molecular Weight372.34 g/mol
Exact Mass372.07
IUPAC Name2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(-c3cccc4oc(-c5ccccc5O)nc34)nc12
InChIInChI=1S/C21H12N2O5/c24-14-8-2-1-5-11(14)19-22-17-12(6-3-9-15(17)27-19)20-23-18-13(21(25)26)7-4-10-16(18)28-20/h1-10,24H,(H,25,26)
InChIKeyWJXUJNREOOYKAO-UHFFFAOYSA-N
XLogP4.71
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

A 33853
CID 133379
2-(2-Benzoxazolyl)phenol
CID 13269
Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
CID 127748
4-Benzoxazolecarboxylic acid, 2-(2-hydroxyphenyl)-, methyl ester
CID 135410270
Caboxamycin
CID 135957253
2-(2-Benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158917
2-[3-Hydroxy-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158922
2-(1-Hydroxy-naphthalen-2-yl)benzoxazole-4-carboxylic acid methyl ester
CID 136224199
Methyl 2-(1-hydroxy-7-phenylmethoxynaphthalen-2-yl)-1,3-benzoxazole-4-carboxylate
CID 136240280
Nataxazole
CID 135419370
Aji9561
CID 135515492
3-(Benzo[d]oxazol-2-yl)phenol
CID 13142948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid (CID 135464246) is 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid is O=C(O)c1cccc2oc(-c3cccc4oc(-c5ccccc5O)nc34)nc12.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is WJXUJNREOOYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O5/c24-14-8-2-1-5-11(14)19-22-17-12(6-3-9-15(17)27-19)20-23-18-13(21(25)26)7-4-10-16(18)28-20/h1-10,24H,(H,25,26).
What are the key properties of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid?
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 372.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 135464246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).