4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

C15H27N3O2 — CID 104612022

IUPAC4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(C2(OC)CCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-4-11-16-12(2)7-8-13-17-14(18-20-13)15(19-3)9-5-6-10-15/h12,16H,4-11H2,1-3H3
InChIKeyFEJVOWNZNLUGKG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds8

About 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 104612022) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID104612022
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(C2(OC)CCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-4-11-16-12(2)7-8-13-17-14(18-20-13)15(19-3)9-5-6-10-15/h12,16H,4-11H2,1-3H3
InChIKeyFEJVOWNZNLUGKG-UHFFFAOYSA-N
XLogP2.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612017
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116781210
N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733043
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]-N-methylbutan-2-amine
CID 116781385
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 104612027
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 104612022) is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(C)CCc1nc(C2(OC)CCCC2)no1.
What is the InChIKey of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is FEJVOWNZNLUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-11-16-12(2)7-8-13-17-14(18-20-13)15(19-3)9-5-6-10-15/h12,16H,4-11H2,1-3H3.
What are the key properties of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 104612022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).