2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole

C17H25NO — CID 132519399

IUPAC2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17-18-13-14-19-17/h9-12H,2-8,13-14H2,1H3
InChIKeyQIZVHNATKXIRJW-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.37
Rot. Bonds8

About 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole

2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 132519399) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID132519399
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17-18-13-14-19-17/h9-12H,2-8,13-14H2,1H3
InChIKeyQIZVHNATKXIRJW-UHFFFAOYSA-N
XLogP4.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-octylphenyl)-4,5-dihydro-1,3-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

N,N-Diethyl-2-(4-methylbenzyloxy)ethylamine hydrochloride
CID 213029
2-Phenyl-2-oxazoline
CID 244030
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
N,N-Dimethyl-2-[(S)-(4-methylphenyl)phenylmethoxy]ethanamine
CID 11437142
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
(R)-Neobenodine
CID 11097588
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809

Frequently Asked Questions

What is the IUPAC name of 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole (CID 132519399) is 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QIZVHNATKXIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17-18-13-14-19-17/h9-12H,2-8,13-14H2,1H3.
What are the key properties of 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 259.39 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132519399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).