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

C15H27N3O2 — CID 116781227

IUPAC2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-5-12(16-3)11(2)13-17-14(18-20-13)15(19-4)9-7-6-8-10-15/h11-12,16H,5-10H2,1-4H3
InChIKeyMLBPZEFPNXQFNB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.98
Rot. Bonds6

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

2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine (PubChem CID 116781227) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
PubChem CID116781227
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-5-12(16-3)11(2)13-17-14(18-20-13)15(19-4)9-7-6-8-10-15/h11-12,16H,5-10H2,1-4H3
InChIKeyMLBPZEFPNXQFNB-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781348
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116781210
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780307
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781274
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116781197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
The IUPAC name of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine (CID 116781227) is 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine.
What is the SMILES notation for 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
The canonical SMILES for 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine is CCC(NC)C(C)c1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
The InChIKey is MLBPZEFPNXQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-12(16-3)11(2)13-17-14(18-20-13)15(19-4)9-7-6-8-10-15/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine is sourced from PubChem (CID 116781227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).