5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde

C14H9NO4 — CID 135522279

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde
SMILESO=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H9NO4/c16-7-9-5-11(18)6-12-13(9)19-14(15-12)8-1-3-10(17)4-2-8/h1-7,17-18H
InChIKeyRVKNUINNULNHGO-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.72
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde

5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde (PubChem CID 135522279) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde
PubChem CID135522279
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde
SMILESO=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H9NO4/c16-7-9-5-11(18)6-12-13(9)19-14(15-12)8-1-3-10(17)4-2-8/h1-7,17-18H
InChIKeyRVKNUINNULNHGO-UHFFFAOYSA-N
XLogP2.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde;5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 159318497
7-chloro-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135409255
5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde
CID 22221614
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
CID 136658117
2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol
CID 135445374
7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol
CID 59741629
4-[7-ethenyl-5-(4-hydroxyphenyl)-1,3-benzoxazol-2-yl]-2-fluorophenol
CID 174507809
diazanium;[4-(7-ethenyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluorophenyl] phosphate
CID 67392934
5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
CID 137126355
2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol
CID 135545359
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde (CID 135522279) is 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde is O=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde?
The InChIKey is RVKNUINNULNHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-7-9-5-11(18)6-12-13(9)19-14(15-12)8-1-3-10(17)4-2-8/h1-7,17-18H.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde?
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde has a molecular weight of 255.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde is sourced from PubChem (CID 135522279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).