1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine

C16H27N3O2 — CID 116781217

IUPAC1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC1(c2noc(CC(N)C3CCCC3)n2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-20-16(9-5-2-6-10-16)15-18-14(21-19-15)11-13(17)12-7-3-4-8-12/h12-13H,2-11,17H2,1H3
InChIKeyLRQRLSRJUDCGPC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.94
Rot. Bonds5

About 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 116781217) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID116781217
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC1(c2noc(CC(N)C3CCCC3)n2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-20-16(9-5-2-6-10-16)15-18-14(21-19-15)11-13(17)12-7-3-4-8-12/h12-13H,2-11,17H2,1H3
InChIKeyLRQRLSRJUDCGPC-UHFFFAOYSA-N
XLogP2.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 116781217) is 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is COC1(c2noc(CC(N)C3CCCC3)n2)CCCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LRQRLSRJUDCGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-20-16(9-5-2-6-10-16)15-18-14(21-19-15)11-13(17)12-7-3-4-8-12/h12-13H,2-11,17H2,1H3.
What are the key properties of 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 116781217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).