3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

C14H23N3O2 — CID 102655502

IUPAC3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCCC1CCC(c2noc(COC3(C)CNC3)n2)C1
InChIInChI=1S/C14H23N3O2/c1-3-10-4-5-11(6-10)13-16-12(19-17-13)7-18-14(2)8-15-9-14/h10-11,15H,3-9H2,1-2H3
InChIKeyCWTOCGGRLNVOSO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.24
Rot. Bonds5

About 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102655502) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102655502
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCCC1CCC(c2noc(COC3(C)CNC3)n2)C1
InChIInChI=1S/C14H23N3O2/c1-3-10-4-5-11(6-10)13-16-12(19-17-13)7-18-14(2)8-15-9-14/h10-11,15H,3-9H2,1-2H3
InChIKeyCWTOCGGRLNVOSO-UHFFFAOYSA-N
XLogP2.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655534
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122
3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65415707
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65406908
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 65403537
3-(ethylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655473
1-amino-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66000793
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102655502) is 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CCC1CCC(c2noc(COC3(C)CNC3)n2)C1.
What is the InChIKey of 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is CWTOCGGRLNVOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-10-4-5-11(6-10)13-16-12(19-17-13)7-18-14(2)8-15-9-14/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102655502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).