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

C15H27N3O2 — CID 116781208

IUPACN-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-4-12(16-5-2)11-13-17-14(18-20-13)15(19-3)9-7-6-8-10-15/h12,16H,4-11H2,1-3H3
InChIKeyHWHXURPDAYHQEX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds7

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

N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116781208) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116781208
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-4-12(16-5-2)11-13-17-14(18-20-13)15(19-3)9-7-6-8-10-15/h12,16H,4-11H2,1-3H3
InChIKeyHWHXURPDAYHQEX-UHFFFAOYSA-N
XLogP2.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 104612027
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
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116741681
N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781279
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-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 116741586
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116781208) is N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(CC)Cc1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is HWHXURPDAYHQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-12(16-5-2)11-13-17-14(18-20-13)15(19-3)9-7-6-8-10-15/h12,16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.81, 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-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 116781208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).