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

C16H29N3O2 — CID 116733253

IUPAC2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1nc(C(CCC)OC)no1
InChIInChI=1S/C16H29N3O2/c1-4-8-14(20-3)15-18-16(21-19-15)12-9-6-7-10-13(12)17-11-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeyJCGBFAFQRCBIFH-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.58
Rot. Bonds8

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

2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (PubChem CID 116733253) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
PubChem CID116733253
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1nc(C(CCC)OC)no1
InChIInChI=1S/C16H29N3O2/c1-4-8-14(20-3)15-18-16(21-19-15)12-9-6-7-10-13(12)17-11-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeyJCGBFAFQRCBIFH-UHFFFAOYSA-N
XLogP3.58
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylcycloheptan-1-amine
CID 63348236
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
CID 116809428
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963886
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116702661
N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine
CID 116730928
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
N-propyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 137001669

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (CID 116733253) is 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1nc(C(CCC)OC)no1.
What is the InChIKey of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The InChIKey is JCGBFAFQRCBIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-8-14(20-3)15-18-16(21-19-15)12-9-6-7-10-13(12)17-11-5-2/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 116733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).