3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole

C14H17N3O — CID 167918233

IUPAC3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCn1ccc(/C=C/c2nc(C3CCCC3)no2)c1
InChIInChI=1S/C14H17N3O/c1-17-9-8-11(10-17)6-7-13-15-14(16-18-13)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b7-6+
InChIKeyZWEVGAGWHOANFC-VOTSOKGWSA-N
MW243.31 g/mol
LogP3.24
Rot. Bonds3

About 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole

3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 167918233) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID167918233
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCn1ccc(/C=C/c2nc(C3CCCC3)no2)c1
InChIInChI=1S/C14H17N3O/c1-17-9-8-11(10-17)6-7-13-15-14(16-18-13)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b7-6+
InChIKeyZWEVGAGWHOANFC-VOTSOKGWSA-N
XLogP3.24
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71971345
3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole
CID 141150130
3-[(E)-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340336
5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole
CID 167780554
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340348
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
4-[(E)-2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115342491
5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961254
3-(1-methylpiperazin-2-yl)-5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazole;hydrochloride
CID 120956823
3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole
CID 65389570
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole (CID 167918233) is 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole is Cn1ccc(/C=C/c2nc(C3CCCC3)no2)c1.
What is the InChIKey of 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is ZWEVGAGWHOANFC-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-8-11(10-17)6-7-13-15-14(16-18-13)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b7-6+.
What are the key properties of 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167918233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).