1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one

C24H19ClN4O2 — CID 86640840

IUPAC1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C1N(Cc2nc(-c3ccc(Cl)nc3)no2)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN4O2/c25-20-12-11-17(15-26-20)22-27-21(31-28-22)16-29-14-13-24(23(29)30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2
InChIKeyTVIVSMKKYUTXCY-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.50
Rot. Bonds5

About 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one

1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one (PubChem CID 86640840) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
PubChem CID86640840
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C1N(Cc2nc(-c3ccc(Cl)nc3)no2)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN4O2/c25-20-12-11-17(15-26-20)22-27-21(31-28-22)16-29-14-13-24(23(29)30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2
InChIKeyTVIVSMKKYUTXCY-UHFFFAOYSA-N
XLogP4.50
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one with MolForge

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Related Compounds

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 67376354
3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
CID 67360329
3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
CID 67446410
5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
CID 162730893
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 53162776
N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 95100369
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
CID 71875543
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9209344
(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8023134
5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
CID 154741779

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
The IUPAC name of 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one (CID 86640840) is 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
The canonical SMILES for 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one is O=C1N(Cc2nc(-c3ccc(Cl)nc3)no2)CCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
The InChIKey is TVIVSMKKYUTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c25-20-12-11-17(15-26-20)22-27-21(31-28-22)16-29-14-13-24(23(29)30,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2.
What are the key properties of 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one has a molecular weight of 430.90 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one is sourced from PubChem (CID 86640840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).