5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine

C13H25N3O — CID 57192757

IUPAC5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCCCCCC(CC)(CC)c1nc(N)no1
InChIInChI=1S/C13H25N3O/c1-4-7-8-9-10-13(5-2,6-3)11-15-12(14)16-17-11/h4-10H2,1-3H3,(H2,14,16)
InChIKeyMCJWNEPNVFARRV-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.68
Rot. Bonds8

About 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine

5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 57192757) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID57192757
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCCCCCC(CC)(CC)c1nc(N)no1
InChIInChI=1S/C13H25N3O/c1-4-7-8-9-10-13(5-2,6-3)11-15-12(14)16-17-11/h4-10H2,1-3H3,(H2,14,16)
InChIKeyMCJWNEPNVFARRV-UHFFFAOYSA-N
XLogP3.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Undecyl-1,2,4-oxadiazol-3-amine
CID 11817293
5-Octyl-1,2,4-oxadiazol-3-amine
CID 11106308
3-Amino-5-tridecyl-1,2,4-oxadiazole
CID 19780334
5-(Cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
CID 59405146
3-Methyl-5-[2-(1-methylcyclohexyl)ethyl]-1,2,4-oxadiazole
CID 89707698
3-Tert-butyl-5-(5,5-dimethylhexyl)-1,2,4-oxadiazole
CID 90336575
5-(7-Ethylcyclododecyl)-3-methyl-1,2,4-oxadiazole
CID 117905591
5-Cyclooctyl-3-ethyl-1,2,4-oxadiazole
CID 123912354
3-Methyl-5-undecan-5-yl-1,2,4-oxadiazole
CID 126714796
5-Cycloheptyl-3-methyl-1,2,4-oxadiazole
CID 127318365
5-(5-Methylundecan-5-yl)-1,2,4-oxadiazole
CID 129137039
3-Tert-butyl-5-(3-methyloctan-3-yl)-1,2,4-oxadiazole
CID 129310302

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine (CID 57192757) is 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine is CCCCCCC(CC)(CC)c1nc(N)no1.
What is the InChIKey of 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is MCJWNEPNVFARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-8-9-10-13(5-2,6-3)11-15-12(14)16-17-11/h4-10H2,1-3H3,(H2,14,16).
What are the key properties of 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine?
5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 239.36 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 57192757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).