2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine

C16H29N3O2 — CID 106483514

IUPAC2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(C(C)(C)OC)no1
InChIInChI=1S/C16H29N3O2/c1-5-10-17-13-9-7-6-8-12(13)11-14-18-15(19-21-14)16(2,3)20-4/h12-13,17H,5-11H2,1-4H3
InChIKeyFXYGXXSJCREHSR-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.05
Rot. Bonds7

About 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine

2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (PubChem CID 106483514) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
PubChem CID106483514
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(C(C)(C)OC)no1
InChIInChI=1S/C16H29N3O2/c1-5-10-17-13-9-7-6-8-12(13)11-14-18-15(19-21-14)16(2,3)20-4/h12-13,17H,5-11H2,1-4H3
InChIKeyFXYGXXSJCREHSR-UHFFFAOYSA-N
XLogP3.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483445
2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 106483668
2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483396
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483455
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482
2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483353
N-propyl-2-[[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483555
N-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483402
2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483677
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79202486
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (CID 106483514) is 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1nc(C(C)(C)OC)no1.
What is the InChIKey of 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is FXYGXXSJCREHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-10-17-13-9-7-6-8-12(13)11-14-18-15(19-21-14)16(2,3)20-4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).