5-(4-hexylphenyl)-1,2-oxazole

C15H19NO — CID 90878874

IUPAC5-(4-hexylphenyl)-1,2-oxazole
SMILESCCCCCCc1ccc(-c2ccno2)cc1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16-17-15/h7-12H,2-6H2,1H3
InChIKeyQTKNRATZKFPJIT-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.46
Rot. Bonds6

About 5-(4-hexylphenyl)-1,2-oxazole

5-(4-hexylphenyl)-1,2-oxazole (PubChem CID 90878874) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(4-hexylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-hexylphenyl)-1,2-oxazole
PubChem CID90878874
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-(4-hexylphenyl)-1,2-oxazole
SMILESCCCCCCc1ccc(-c2ccno2)cc1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16-17-15/h7-12H,2-6H2,1H3
InChIKeyQTKNRATZKFPJIT-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-hexylphenyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-hexoxyphenyl)-1,2-oxazole
CID 166514076
5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole
CID 158606349
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-nonylbenzene
CID 59545302
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
2-(4-heptylphenyl)-1,3-oxazole
CID 59546194
(4-decylphenyl)-trimethylsilane
CID 69331769
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexylphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-hexylphenyl)-1,2-oxazole (CID 90878874) is 5-(4-hexylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-hexylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-hexylphenyl)-1,2-oxazole is CCCCCCc1ccc(-c2ccno2)cc1.
What is the InChIKey of 5-(4-hexylphenyl)-1,2-oxazole?
The InChIKey is QTKNRATZKFPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16-17-15/h7-12H,2-6H2,1H3.
What are the key properties of 5-(4-hexylphenyl)-1,2-oxazole?
5-(4-hexylphenyl)-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexylphenyl)-1,2-oxazole is sourced from PubChem (CID 90878874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).