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

C18H27NO — CID 132519400

IUPAC2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-19-14-15-20-18/h10-13H,2-9,14-15H2,1H3
InChIKeyXCTSWACZGLKWKZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.76
Rot. Bonds9

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

2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 132519400) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID132519400
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-19-14-15-20-18/h10-13H,2-9,14-15H2,1H3
InChIKeyXCTSWACZGLKWKZ-UHFFFAOYSA-N
XLogP4.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole (CID 132519400) is 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XCTSWACZGLKWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-19-14-15-20-18/h10-13H,2-9,14-15H2,1H3.
What are the key properties of 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 273.42 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132519400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).