3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde

C11H11NO2 — CID 13163431

IUPAC3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
SMILESCC1=NOC(c2ccccc2)C1C=O
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7,10-11H,1H3
InChIKeyZQYULIXQISCKLV-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde

3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde (PubChem CID 13163431) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
PubChem CID13163431
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
SMILESCC1=NOC(c2ccccc2)C1C=O
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7,10-11H,1H3
InChIKeyZQYULIXQISCKLV-UHFFFAOYSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde (CID 13163431) is 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde is CC1=NOC(c2ccccc2)C1C=O.
What is the InChIKey of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
The InChIKey is ZQYULIXQISCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7,10-11H,1H3.
What are the key properties of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 13163431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).