3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile

C15H24N4O2 — CID 138993644

IUPAC3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile
SMILESCc1nc(C2(NCCOCCC#N)CCCCCC2)no1
InChIInChI=1S/C15H24N4O2/c1-13-18-14(19-21-13)15(7-4-2-3-5-8-15)17-10-12-20-11-6-9-16/h17H,2-8,10-12H2,1H3
InChIKeyPZWNSSCPFZRVMH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds7

About 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile

3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile (PubChem CID 138993644) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile.

Molecular Properties

Compound Name3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile
PubChem CID138993644
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile
SMILESCc1nc(C2(NCCOCCC#N)CCCCCC2)no1
InChIInChI=1S/C15H24N4O2/c1-13-18-14(19-21-13)15(7-4-2-3-5-8-15)17-10-12-20-11-6-9-16/h17H,2-8,10-12H2,1H3
InChIKeyPZWNSSCPFZRVMH-UHFFFAOYSA-N
XLogP2.45
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile?
The IUPAC name of 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile (CID 138993644) is 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile.
What is the SMILES notation for 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile?
The canonical SMILES for 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile is Cc1nc(C2(NCCOCCC#N)CCCCCC2)no1.
What is the InChIKey of 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile?
The InChIKey is PZWNSSCPFZRVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-13-18-14(19-21-13)15(7-4-2-3-5-8-15)17-10-12-20-11-6-9-16/h17H,2-8,10-12H2,1H3.
What are the key properties of 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile?
3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile has a molecular weight of 292.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]ethoxy]propanenitrile is sourced from PubChem (CID 138993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).