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

C19H34N2O — CID 175618651

IUPAC3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole
SMILESCCCCCC(C)(CCCCC)c1nc(C2CCCC2)no1
InChIInChI=1S/C19H34N2O/c1-4-6-10-14-19(3,15-11-7-5-2)18-20-17(21-22-18)16-12-8-9-13-16/h16H,4-15H2,1-3H3
InChIKeyIQRCRMRDAJJVDC-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.15
Rot. Bonds10

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

3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole (PubChem CID 175618651) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole
PubChem CID175618651
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole
SMILESCCCCCC(C)(CCCCC)c1nc(C2CCCC2)no1
InChIInChI=1S/C19H34N2O/c1-4-6-10-14-19(3,15-11-7-5-2)18-20-17(21-22-18)16-12-8-9-13-16/h16H,4-15H2,1-3H3
InChIKeyIQRCRMRDAJJVDC-UHFFFAOYSA-N
XLogP6.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.15
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole (CID 175618651) is 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole is CCCCCC(C)(CCCCC)c1nc(C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole?
The InChIKey is IQRCRMRDAJJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-4-6-10-14-19(3,15-11-7-5-2)18-20-17(21-22-18)16-12-8-9-13-16/h16H,4-15H2,1-3H3.
What are the key properties of 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole?
3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole has a molecular weight of 306.49 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 175618651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).