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

C18H22N4O — CID 26409904

IUPAC5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESC=CCC1(CC=C)CCCN1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C18H22N4O/c1-3-9-18(10-4-2)11-7-13-22(18)14-16-20-17(21-23-16)15-8-5-6-12-19-15/h3-6,8,12H,1-2,7,9-11,13-14H2
InChIKeyKHFCISGPLFRXRN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.62
Rot. Bonds7

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

5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 26409904) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID26409904
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESC=CCC1(CC=C)CCCN1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C18H22N4O/c1-3-9-18(10-4-2)11-7-13-22(18)14-16-20-17(21-23-16)15-8-5-6-12-19-15/h3-6,8,12H,1-2,7,9-11,13-14H2
InChIKeyKHFCISGPLFRXRN-UHFFFAOYSA-N
XLogP3.62
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-chlorophenyl)-1,2,4-oxadiazole
CID 26322362
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 75370384
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047
3-cyclopropyl-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 156593358
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 47053432
1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059428
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 26409904) is 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is C=CCC1(CC=C)CCCN1Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is KHFCISGPLFRXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-9-18(10-4-2)11-7-13-22(18)14-16-20-17(21-23-16)15-8-5-6-12-19-15/h3-6,8,12H,1-2,7,9-11,13-14H2.
What are the key properties of 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 310.40 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26409904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).