2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde

C11H9NO3 — CID 137003005

IUPAC2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(-c2ccccc2O)o1
InChIInChI=1S/C11H9NO3/c13-6-5-8-7-12-11(15-8)9-3-1-2-4-10(9)14/h1-4,6-7,14H,5H2
InChIKeyCTZXCUWULNGGDD-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.79
Rot. Bonds3

About 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde

2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 137003005) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
PubChem CID137003005
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(-c2ccccc2O)o1
InChIInChI=1S/C11H9NO3/c13-6-5-8-7-12-11(15-8)9-3-1-2-4-10(9)14/h1-4,6-7,14H,5H2
InChIKeyCTZXCUWULNGGDD-UHFFFAOYSA-N
XLogP1.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.79
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

2-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003013
2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087128
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086804
2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087224
2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087564
5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole
CID 164658927
2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 135624284
2-(1,3,4-oxadiazol-2-yl)phenol
CID 13883
3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
CID 142748412
2-(1,3,4-oxadiazol-2-yl)phenol;propane
CID 158799675
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
CID 115087279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde (CID 137003005) is 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde is O=CCc1cnc(-c2ccccc2O)o1.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is CTZXCUWULNGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-6-5-8-7-12-11(15-8)9-3-1-2-4-10(9)14/h1-4,6-7,14H,5H2.
What are the key properties of 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde?
2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 137003005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).