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

C14H25N3O2 — CID 116741681

IUPAC2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
SMILESCCC(CN)Cc1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-3-11(10-15)9-12-16-13(17-19-12)14(18-2)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3
InChIKeyOCPOSJOOLYLVSJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.40
Rot. Bonds6

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

2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine (PubChem CID 116741681) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
PubChem CID116741681
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
SMILESCCC(CN)Cc1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-3-11(10-15)9-12-16-13(17-19-12)14(18-2)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3
InChIKeyOCPOSJOOLYLVSJ-UHFFFAOYSA-N
XLogP2.40
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(Piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357
3-Ethyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103472363
4-Methyl-2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 103472417
[2-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 103472419
3-[2-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 103472515
3-Methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103472639
[4-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 103472671
2-[[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103472737
(2S)-4-methyl-2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 103472778
3-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103472900
3-Methyl-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103473051
2-[[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103473101

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine (CID 116741681) is 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine is CCC(CN)Cc1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
The InChIKey is OCPOSJOOLYLVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-11(10-15)9-12-16-13(17-19-12)14(18-2)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3.
What are the key properties of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine?
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.40, 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]methyl]butan-1-amine is sourced from PubChem (CID 116741681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).