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

C16H27N3O2 — CID 115292615

IUPAC4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCCCC1CCC(c2noc(C3(N)CCOCC3)n2)CC1
InChIInChI=1S/C16H27N3O2/c1-2-3-12-4-6-13(7-5-12)14-18-15(21-19-14)16(17)8-10-20-11-9-16/h12-13H,2-11,17H2,1H3
InChIKeyLDFCKWYTBOTYGX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.11
Rot. Bonds4

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

4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 115292615) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID115292615
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCCCC1CCC(c2noc(C3(N)CCOCC3)n2)CC1
InChIInChI=1S/C16H27N3O2/c1-2-3-12-4-6-13(7-5-12)14-18-15(21-19-14)16(17)8-10-20-11-9-16/h12-13H,2-11,17H2,1H3
InChIKeyLDFCKWYTBOTYGX-UHFFFAOYSA-N
XLogP3.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 65390894
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65423270
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 115292615) is 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CCCC1CCC(c2noc(C3(N)CCOCC3)n2)CC1.
What is the InChIKey of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is LDFCKWYTBOTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-3-12-4-6-13(7-5-12)14-18-15(21-19-14)16(17)8-10-20-11-9-16/h12-13H,2-11,17H2,1H3.
What are the key properties of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 115292615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).