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

C14H25N3O2 — CID 104612027

IUPACN-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(C2(OC)CCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-4-11(15-5-2)10-12-16-13(17-19-12)14(18-3)8-6-7-9-14/h11,15H,4-10H2,1-3H3
InChIKeyABOZEQCERCMVLO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.42
Rot. Bonds7

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

N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 104612027) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID104612027
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(C2(OC)CCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-4-11(15-5-2)10-12-16-13(17-19-12)14(18-3)8-6-7-9-14/h11,15H,4-10H2,1-3H3
InChIKeyABOZEQCERCMVLO-UHFFFAOYSA-N
XLogP2.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116781208
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612017
N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733043
N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781279
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116741681
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 116780703
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216
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
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
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 N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 104612027) is N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(CC)Cc1nc(C2(OC)CCCC2)no1.
What is the InChIKey of N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is ABOZEQCERCMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-11(15-5-2)10-12-16-13(17-19-12)14(18-3)8-6-7-9-14/h11,15H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 104612027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).