1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C14H25N3O — CID 65423654

IUPAC1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCCC1CCC(c2noc(CC(C)N)n2)CC1
InChIInChI=1S/C14H25N3O/c1-3-4-11-5-7-12(8-6-11)14-16-13(18-17-14)9-10(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyJTDRHGXYLCWVJU-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.03
Rot. Bonds5

About 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 65423654) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID65423654
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCCC1CCC(c2noc(CC(C)N)n2)CC1
InChIInChI=1S/C14H25N3O/c1-3-4-11-5-7-12(8-6-11)14-16-13(18-17-14)9-10(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyJTDRHGXYLCWVJU-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192299
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 65423654) is 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCCC1CCC(c2noc(CC(C)N)n2)CC1.
What is the InChIKey of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is JTDRHGXYLCWVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-4-11-5-7-12(8-6-11)14-16-13(18-17-14)9-10(2)15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 65423654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).