2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde

C12H11NO2 — CID 18984662

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
SMILESCc1oc(-c2ccccc2)nc1CC=O
InChIInChI=1S/C12H11NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyOILCAWGLITYJMZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde (PubChem CID 18984662) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
PubChem CID18984662
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
SMILESCc1oc(-c2ccccc2)nc1CC=O
InChIInChI=1S/C12H11NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyOILCAWGLITYJMZ-UHFFFAOYSA-N
XLogP2.39
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
CID 10869047
(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal
CID 19965609
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzaldehyde
CID 14456655
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propylsulfanyl]benzaldehyde
CID 19013418
4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 97313225
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde (CID 18984662) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde is Cc1oc(-c2ccccc2)nc1CC=O.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde?
The InChIKey is OILCAWGLITYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde has a molecular weight of 201.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde is sourced from PubChem (CID 18984662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).