4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde

C14H15NO2 — CID 174258977

IUPAC4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde
SMILESCC(C)Cc1nc(C=O)oc1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-10(2)8-12-14(17-13(9-16)15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyWQKLQWYUSBANCP-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.35
Rot. Bonds4

About 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde

4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde (PubChem CID 174258977) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde
PubChem CID174258977
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde
SMILESCC(C)Cc1nc(C=O)oc1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-10(2)8-12-14(17-13(9-16)15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyWQKLQWYUSBANCP-UHFFFAOYSA-N
XLogP3.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.35
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

3-(2-methylpropyl)-2-phenyl-1-benzofuran
CID 11572364
2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
CID 67613413
2-(2-methylpropyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198060
6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
CID 141430614
4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453415
formic acid;2-methylpropylbenzene
CID 162001374
5-phenyl-1,3-oxazole-2-carbaldehyde
CID 13352176
4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde
CID 83815385
2-[5-methyl-2-(2-methylpropyl)-7-phenyl-1,3-benzothiazol-6-yl]acetaldehyde
CID 129273315
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine
CID 62221198
2-(2-methylpropyl)-5-phenylpyridin-3-amine
CID 83918099

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde (CID 174258977) is 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde is CC(C)Cc1nc(C=O)oc1-c1ccccc1.
What is the InChIKey of 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde?
The InChIKey is WQKLQWYUSBANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(2)8-12-14(17-13(9-16)15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde?
4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-phenyl-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 174258977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).