5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole

C17H32N2O — CID 175618648

IUPAC5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCCCCC(C)(CCCCC)c1nc(C(C)C)no1
InChIInChI=1S/C17H32N2O/c1-6-8-10-12-17(5,13-11-9-7-2)16-18-15(14(3)4)19-20-16/h14H,6-13H2,1-5H3
InChIKeyVPFINKLDUYMLCH-UHFFFAOYSA-N
MW280.46 g/mol
LogP5.61
Rot. Bonds10

About 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 175618648) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID175618648
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCCCCC(C)(CCCCC)c1nc(C(C)C)no1
InChIInChI=1S/C17H32N2O/c1-6-8-10-12-17(5,13-11-9-7-2)16-18-15(14(3)4)19-20-16/h14H,6-13H2,1-5H3
InChIKeyVPFINKLDUYMLCH-UHFFFAOYSA-N
XLogP5.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole 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

3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
1-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667684
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
CID 43559931
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 175618648) is 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole is CCCCCC(C)(CCCCC)c1nc(C(C)C)no1.
What is the InChIKey of 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VPFINKLDUYMLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-8-10-12-17(5,13-11-9-7-2)16-18-15(14(3)4)19-20-16/h14H,6-13H2,1-5H3.
What are the key properties of 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 280.46 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 175618648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).