5-benzyl-3-dodecyl-1,2-oxazole

C22H33NO — CID 10592339

IUPAC5-benzyl-3-dodecyl-1,2-oxazole
SMILESCCCCCCCCCCCCc1cc(Cc2ccccc2)on1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-19-22(24-23-21)18-20-15-12-11-13-16-20/h11-13,15-16,19H,2-10,14,17-18H2,1H3
InChIKeyFPXJRHZBYLCMMG-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.73
Rot. Bonds13

About 5-benzyl-3-dodecyl-1,2-oxazole

5-benzyl-3-dodecyl-1,2-oxazole (PubChem CID 10592339) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 5-benzyl-3-dodecyl-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-dodecyl-1,2-oxazole
PubChem CID10592339
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name5-benzyl-3-dodecyl-1,2-oxazole
SMILESCCCCCCCCCCCCc1cc(Cc2ccccc2)on1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-19-22(24-23-21)18-20-15-12-11-13-16-20/h11-13,15-16,19H,2-10,14,17-18H2,1H3
InChIKeyFPXJRHZBYLCMMG-UHFFFAOYSA-N
XLogP6.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.73
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

3,5-dipentyl-1,2-oxazole
CID 66668490
2-(3-heptyl-1,2-oxazol-5-yl)ethanol
CID 65017895
1-benzyl-3,5-dioctylbenzene
CID 22920470
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
1-benzyl-3-pentadecylbenzene
CID 173121378
(3-butyl-1,2-oxazol-5-yl)methanol
CID 12045691
3-octyl-1,2-oxazol-5-amine
CID 65427877
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-dodecyl-1,2-oxazole?
The IUPAC name of 5-benzyl-3-dodecyl-1,2-oxazole (CID 10592339) is 5-benzyl-3-dodecyl-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-dodecyl-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-dodecyl-1,2-oxazole is CCCCCCCCCCCCc1cc(Cc2ccccc2)on1.
What is the InChIKey of 5-benzyl-3-dodecyl-1,2-oxazole?
The InChIKey is FPXJRHZBYLCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-19-22(24-23-21)18-20-15-12-11-13-16-20/h11-13,15-16,19H,2-10,14,17-18H2,1H3.
What are the key properties of 5-benzyl-3-dodecyl-1,2-oxazole?
5-benzyl-3-dodecyl-1,2-oxazole has a molecular weight of 327.51 g/mol, XLogP of 6.73, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-dodecyl-1,2-oxazole is sourced from PubChem (CID 10592339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).