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

C14H25N3O — CID 65424422

IUPAC3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCC1CCC(c2noc(CCCN)n2)CC1
InChIInChI=1S/C14H25N3O/c1-2-4-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-10-15/h11-12H,2-10,15H2,1H3
InChIKeyBTYYERCPKIVIBO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.03
Rot. Bonds6

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

3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 65424422) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID65424422
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCC1CCC(c2noc(CCCN)n2)CC1
InChIInChI=1S/C14H25N3O/c1-2-4-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-10-15/h11-12H,2-10,15H2,1H3
InChIKeyBTYYERCPKIVIBO-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192299
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081555
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 65393884

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 65424422) is 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCCC1CCC(c2noc(CCCN)n2)CC1.
What is the InChIKey of 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is BTYYERCPKIVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-4-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-10-15/h11-12H,2-10,15H2,1H3.
What are the key properties of 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 65424422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).