5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole

C19H22ClN3O — CID 26322362

IUPAC5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESC=CCC1(CC=C)CCCN1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C19H22ClN3O/c1-3-9-19(10-4-2)11-6-12-23(19)14-17-21-18(22-24-17)15-7-5-8-16(20)13-15/h3-5,7-8,13H,1-2,6,9-12,14H2
InChIKeyVETVWCALTIWLFT-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.88
Rot. Bonds7

About 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole

5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 26322362) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
PubChem CID26322362
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESC=CCC1(CC=C)CCCN1Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C19H22ClN3O/c1-3-9-19(10-4-2)11-6-12-23(19)14-17-21-18(22-24-17)15-7-5-8-16(20)13-15/h3-5,7-8,13H,1-2,6,9-12,14H2
InChIKeyVETVWCALTIWLFT-UHFFFAOYSA-N
XLogP4.88
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26409904
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
CID 71875543
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
3-(3-chlorophenyl)-5-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 42530638
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carbaldehyde
CID 66216210
3-(3-chlorophenyl)-5-[(2R)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 95311347

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole (CID 26322362) is 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole is C=CCC1(CC=C)CCCN1Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is VETVWCALTIWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-3-9-19(10-4-2)11-6-12-23(19)14-17-21-18(22-24-17)15-7-5-8-16(20)13-15/h3-5,7-8,13H,1-2,6,9-12,14H2.
What are the key properties of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole?
5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 343.86 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 26322362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).