6-hydroxy-1,3-benzoxazole-2-carbaldehyde

C8H5NO3 — CID 82415216

IUPAC6-hydroxy-1,3-benzoxazole-2-carbaldehyde
SMILESO=Cc1nc2ccc(O)cc2o1
InChIInChI=1S/C8H5NO3/c10-4-8-9-6-2-1-5(11)3-7(6)12-8/h1-4,11H
InChIKeyUFXKMQRARWLPPF-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.35
Rot. Bonds1

About 6-hydroxy-1,3-benzoxazole-2-carbaldehyde

6-hydroxy-1,3-benzoxazole-2-carbaldehyde (PubChem CID 82415216) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 6-hydroxy-1,3-benzoxazole-2-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-1,3-benzoxazole-2-carbaldehyde
PubChem CID82415216
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name6-hydroxy-1,3-benzoxazole-2-carbaldehyde
SMILESO=Cc1nc2ccc(O)cc2o1
InChIInChI=1S/C8H5NO3/c10-4-8-9-6-2-1-5(11)3-7(6)12-8/h1-4,11H
InChIKeyUFXKMQRARWLPPF-UHFFFAOYSA-N
XLogP1.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
CID 174634170
6-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 130870252
2-[(1E,3E)-4-(4-amino-2-hydroxyphenyl)buta-1,3-dienyl]-1,3-benzoxazol-6-ol
CID 135538040
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
CID 69474101
thieno[3,4-d][1,3]oxazole-2-carbaldehyde
CID 82416977
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol
CID 91417035
6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
6-bromo-5-fluoro-1,3-benzoxazole-2-carbaldehyde
CID 82386057
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
ethane;4-hydroxyphthalaldehyde
CID 90973394

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-benzoxazole-2-carbaldehyde?
The IUPAC name of 6-hydroxy-1,3-benzoxazole-2-carbaldehyde (CID 82415216) is 6-hydroxy-1,3-benzoxazole-2-carbaldehyde.
What is the SMILES notation for 6-hydroxy-1,3-benzoxazole-2-carbaldehyde?
The canonical SMILES for 6-hydroxy-1,3-benzoxazole-2-carbaldehyde is O=Cc1nc2ccc(O)cc2o1.
What is the InChIKey of 6-hydroxy-1,3-benzoxazole-2-carbaldehyde?
The InChIKey is UFXKMQRARWLPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-4-8-9-6-2-1-5(11)3-7(6)12-8/h1-4,11H.
What are the key properties of 6-hydroxy-1,3-benzoxazole-2-carbaldehyde?
6-hydroxy-1,3-benzoxazole-2-carbaldehyde has a molecular weight of 163.13 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-benzoxazole-2-carbaldehyde is sourced from PubChem (CID 82415216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).