2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C15H25N3O2 — CID 116741436

IUPAC2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCOC1(c2noc(C3CCCCC3N)n2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-2-19-15(9-5-6-10-15)14-17-13(20-18-14)11-7-3-4-8-12(11)16/h11-12H,2-10,16H2,1H3
InChIKeyVMHVDJNBZQLEDD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds4

About 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 116741436) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID116741436
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCOC1(c2noc(C3CCCCC3N)n2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-2-19-15(9-5-6-10-15)14-17-13(20-18-14)11-7-3-4-8-12(11)16/h11-12H,2-10,16H2,1H3
InChIKeyVMHVDJNBZQLEDD-UHFFFAOYSA-N
XLogP2.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742329
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
cis-(1S,3R)-3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323609
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192
3-(1-ethoxycyclohexyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915174
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106527661
3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071052
3-(1-ethoxycycloheptyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900902
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780801

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 116741436) is 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCOC1(c2noc(C3CCCCC3N)n2)CCCC1.
What is the InChIKey of 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is VMHVDJNBZQLEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-19-15(9-5-6-10-15)14-17-13(20-18-14)11-7-3-4-8-12(11)16/h11-12H,2-10,16H2,1H3.
What are the key properties of 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 116741436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).