5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C16H20N2O2 — CID 8895516

IUPAC5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CCC3CCCC3)n2)c1
InChIInChI=1S/C16H20N2O2/c1-19-14-8-4-7-13(11-14)16-17-15(20-18-16)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3
InChIKeyYCCZQSMGAKWIBR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.87
Rot. Bonds5

About 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 8895516) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID8895516
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CCC3CCCC3)n2)c1
InChIInChI=1S/C16H20N2O2/c1-19-14-8-4-7-13(11-14)16-17-15(20-18-16)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3
InChIKeyYCCZQSMGAKWIBR-UHFFFAOYSA-N
XLogP3.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
(4aS,8aS)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95154066
N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide
CID 171353890
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 8895516) is 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(CCC3CCCC3)n2)c1.
What is the InChIKey of 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is YCCZQSMGAKWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-8-4-7-13(11-14)16-17-15(20-18-16)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3.
What are the key properties of 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8895516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).