3-methyl-5-undecan-5-yl-1,2,4-oxadiazole

C14H26N2O — CID 126714796

IUPAC3-methyl-5-undecan-5-yl-1,2,4-oxadiazole
SMILESCCCCCCC(CCCC)c1nc(C)no1
InChIInChI=1S/C14H26N2O/c1-4-6-8-9-11-13(10-7-5-2)14-15-12(3)16-17-14/h13H,4-11H2,1-3H3
InChIKeyYCHCTSUQRQRHOJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.62
Rot. Bonds9

About 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole

3-methyl-5-undecan-5-yl-1,2,4-oxadiazole (PubChem CID 126714796) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-undecan-5-yl-1,2,4-oxadiazole
PubChem CID126714796
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-methyl-5-undecan-5-yl-1,2,4-oxadiazole
SMILESCCCCCCC(CCCC)c1nc(C)no1
InChIInChI=1S/C14H26N2O/c1-4-6-8-9-11-13(10-7-5-2)14-15-12(3)16-17-14/h13H,4-11H2,1-3H3
InChIKeyYCHCTSUQRQRHOJ-UHFFFAOYSA-N
XLogP4.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.62
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-methyl-5-undecan-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole (CID 126714796) is 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole is CCCCCCC(CCCC)c1nc(C)no1.
What is the InChIKey of 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole?
The InChIKey is YCHCTSUQRQRHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-8-9-11-13(10-7-5-2)14-15-12(3)16-17-14/h13H,4-11H2,1-3H3.
What are the key properties of 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole?
3-methyl-5-undecan-5-yl-1,2,4-oxadiazole has a molecular weight of 238.37 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-undecan-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 126714796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).