2-octyl-1,3,4-oxadiazole

C10H18N2O — CID 17244516

IUPAC2-octyl-1,3,4-oxadiazole
SMILESCCCCCCCCc1nnco1
InChIInChI=1S/C10H18N2O/c1-2-3-4-5-6-7-8-10-12-11-9-13-10/h9H,2-8H2,1H3
InChIKeyKNIDXDIXMCGSHX-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.97
Rot. Bonds7

About 2-octyl-1,3,4-oxadiazole

2-octyl-1,3,4-oxadiazole (PubChem CID 17244516) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-octyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-octyl-1,3,4-oxadiazole
PubChem CID17244516
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-octyl-1,3,4-oxadiazole
SMILESCCCCCCCCc1nnco1
InChIInChI=1S/C10H18N2O/c1-2-3-4-5-6-7-8-10-12-11-9-13-10/h9H,2-8H2,1H3
InChIKeyKNIDXDIXMCGSHX-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.97
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

2-pentyl-1,3,4-oxadiazole
CID 17244515
2-tetradecan-7-yl-1,3,4-oxadiazole
CID 129156165
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
3-octyl-1,2,4-triazol-4-amine
CID 165358643
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
2-heptadecyloxirene
CID 91445376
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407

Frequently Asked Questions

What is the IUPAC name of 2-octyl-1,3,4-oxadiazole?
The IUPAC name of 2-octyl-1,3,4-oxadiazole (CID 17244516) is 2-octyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-octyl-1,3,4-oxadiazole?
The canonical SMILES for 2-octyl-1,3,4-oxadiazole is CCCCCCCCc1nnco1.
What is the InChIKey of 2-octyl-1,3,4-oxadiazole?
The InChIKey is KNIDXDIXMCGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-5-6-7-8-10-12-11-9-13-10/h9H,2-8H2,1H3.
What are the key properties of 2-octyl-1,3,4-oxadiazole?
2-octyl-1,3,4-oxadiazole has a molecular weight of 182.27 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-1,3,4-oxadiazole is sourced from PubChem (CID 17244516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).