5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole

C16H24N2O — CID 91719391

IUPAC5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
SMILESCCCCCCCCC1CC(c2cccnc2)=NO1
InChIInChI=1S/C16H24N2O/c1-2-3-4-5-6-7-10-15-12-16(18-19-15)14-9-8-11-17-13-14/h8-9,11,13,15H,2-7,10,12H2,1H3
InChIKeyQNDQXWPEEXYRBE-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.33
Rot. Bonds8

About 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole

5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole (PubChem CID 91719391) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
PubChem CID91719391
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
SMILESCCCCCCCCC1CC(c2cccnc2)=NO1
InChIInChI=1S/C16H24N2O/c1-2-3-4-5-6-7-10-15-12-16(18-19-15)14-9-8-11-17-13-14/h8-9,11,13,15H,2-7,10,12H2,1H3
InChIKeyQNDQXWPEEXYRBE-UHFFFAOYSA-N
XLogP4.33
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-octyl-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole
CID 91719392
5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004
3-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)benzonitrile
CID 25136573
methyl 4-[(5S)-5-pentyl-4,5-dihydro-1,2-oxazol-3-yl]benzoate
CID 7319745
3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
CID 90790732
acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 143617767
(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole
CID 10040355
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
CID 14899368
N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 46137904
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
CID 18510754

Frequently Asked Questions

What is the IUPAC name of 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole (CID 91719391) is 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole is CCCCCCCCC1CC(c2cccnc2)=NO1.
What is the InChIKey of 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is QNDQXWPEEXYRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-5-6-7-10-15-12-16(18-19-15)14-9-8-11-17-13-14/h8-9,11,13,15H,2-7,10,12H2,1H3.
What are the key properties of 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 260.38 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91719391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).