3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole

C16H18F2N2O3 — CID 126805804

IUPAC3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
SMILESCCOC1(c2nc(-c3ccccc3OC(F)F)no2)CCCC1
InChIInChI=1S/C16H18F2N2O3/c1-2-21-16(9-5-6-10-16)14-19-13(20-23-14)11-7-3-4-8-12(11)22-15(17)18/h3-4,7-8,15H,2,5-6,9-10H2,1H3
InChIKeyNRWSLFFVSBZQRC-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.14
Rot. Bonds6

About 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole

3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole (PubChem CID 126805804) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
PubChem CID126805804
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
SMILESCCOC1(c2nc(-c3ccccc3OC(F)F)no2)CCCC1
InChIInChI=1S/C16H18F2N2O3/c1-2-21-16(9-5-6-10-16)14-19-13(20-23-14)11-7-3-4-8-12(11)22-15(17)18/h3-4,7-8,15H,2,5-6,9-10H2,1H3
InChIKeyNRWSLFFVSBZQRC-UHFFFAOYSA-N
XLogP4.14
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126834218
3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126826089
1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 99611202
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764126
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115532985
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline
CID 78902293
3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 78817560
3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine
CID 120835501

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole (CID 126805804) is 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole is CCOC1(c2nc(-c3ccccc3OC(F)F)no2)CCCC1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The InChIKey is NRWSLFFVSBZQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c1-2-21-16(9-5-6-10-16)14-19-13(20-23-14)11-7-3-4-8-12(11)22-15(17)18/h3-4,7-8,15H,2,5-6,9-10H2,1H3.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole has a molecular weight of 324.33 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126805804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).