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

C13H23N3O2 — CID 116741779

IUPAC2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C13H23N3O2/c1-4-12(2,14)11-15-10(16-18-11)13(17-3)8-6-5-7-9-13/h4-9,14H2,1-3H3
InChIKeyCHUZGGGOGLBOSL-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.46
Rot. Bonds4

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

2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116741779) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116741779
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C13H23N3O2/c1-4-12(2,14)11-15-10(16-18-11)13(17-3)8-6-5-7-9-13/h4-9,14H2,1-3H3
InChIKeyCHUZGGGOGLBOSL-UHFFFAOYSA-N
XLogP2.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116741808
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 104693284
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742037
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116741876
1-[5-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114105914
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116741779) is 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(C)(N)c1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is CHUZGGGOGLBOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-12(2,14)11-15-10(16-18-11)13(17-3)8-6-5-7-9-13/h4-9,14H2,1-3H3.
What are the key properties of 2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.46, 4 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]butan-2-amine is sourced from PubChem (CID 116741779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).