4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C14H25N3O2 — CID 116743201

IUPAC4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCOC1(c2noc(CCCCN)n2)CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-18-14(9-5-2-3-6-10-14)13-16-12(19-17-13)8-4-7-11-15/h2-11,15H2,1H3
InChIKeyUSENVVRERYAZJB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.55
Rot. Bonds6

About 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 116743201) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID116743201
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCOC1(c2noc(CCCCN)n2)CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-18-14(9-5-2-3-6-10-14)13-16-12(19-17-13)8-4-7-11-15/h2-11,15H2,1H3
InChIKeyUSENVVRERYAZJB-UHFFFAOYSA-N
XLogP2.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
2-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116701492
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116741681
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 116743201) is 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is COC1(c2noc(CCCCN)n2)CCCCCC1.
What is the InChIKey of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is USENVVRERYAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-18-14(9-5-2-3-6-10-14)13-16-12(19-17-13)8-4-7-11-15/h2-11,15H2,1H3.
What are the key properties of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116743201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).