1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

C16H27N3O2 — CID 116733432

IUPAC1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(C(OC)C2CC2)no1)C1CCCC1
InChIInChI=1S/C16H27N3O2/c1-3-17-13(11-6-4-5-7-11)10-14-18-16(19-21-14)15(20-2)12-8-9-12/h11-13,15,17H,3-10H2,1-2H3
InChIKeyHWIWUAKSTNBVOB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds8

About 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 116733432) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID116733432
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(C(OC)C2CC2)no1)C1CCCC1
InChIInChI=1S/C16H27N3O2/c1-3-17-13(11-6-4-5-7-11)10-14-18-16(19-21-14)15(20-2)12-8-9-12/h11-13,15,17H,3-10H2,1-2H3
InChIKeyHWIWUAKSTNBVOB-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
CID 63717824
1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 64535657
1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116733478
N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733456
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116732892
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 106815738
1-cyclopropyl-N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 116809156

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 116733432) is 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNC(Cc1nc(C(OC)C2CC2)no1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is HWIWUAKSTNBVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-13(11-6-4-5-7-11)10-14-18-16(19-21-14)15(20-2)12-8-9-12/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 116733432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).