4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde

C10H7NO3 — CID 105422834

IUPAC4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1-c1ccc(O)cc1
InChIInChI=1S/C10H7NO3/c12-5-10-9(6-14-11-10)7-1-3-8(13)4-2-7/h1-6,13H
InChIKeyQBEFPQMVVGEXRB-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.86
Rot. Bonds2

About 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde

4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 105422834) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde
PubChem CID105422834
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1-c1ccc(O)cc1
InChIInChI=1S/C10H7NO3/c12-5-10-9(6-14-11-10)7-1-3-8(13)4-2-7/h1-6,13H
InChIKeyQBEFPQMVVGEXRB-UHFFFAOYSA-N
XLogP1.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.86
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

4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
CID 105423012
4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 105422864
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
3-bromo-5-(4-hydroxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 136900874
2,3,4-trihydroxy-5-(4-hydroxyphenyl)benzaldehyde
CID 175466940
4-chloro-3-(4-hydroxyphenyl)benzaldehyde
CID 39231923
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
ethane;formic acid;4-methylphenol
CID 143673297
3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde
CID 15369388
4-(1,2,4-oxadiazol-3-yl)phenol
CID 135760588
3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362900
2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 137002860

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde (CID 105422834) is 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde is O=Cc1nocc1-c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is QBEFPQMVVGEXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-5-10-9(6-14-11-10)7-1-3-8(13)4-2-7/h1-6,13H.
What are the key properties of 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde?
4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 105422834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).