1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one

C29H29N3O2 — CID 67376354

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCC(c4ccccc4)(c4ccccc4)C3=O)n2)cc1
InChIInChI=1S/C29H29N3O2/c1-28(2,3)22-16-14-21(15-17-22)26-30-25(34-31-26)20-32-19-18-29(27(32)33,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17H,18-20H2,1-3H3
InChIKeyUCFODDSLTRKMOP-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.75
Rot. Bonds5

About 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one (PubChem CID 67376354) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
PubChem CID67376354
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
SMILESCC(C)(C)c1ccc(-c2noc(CN3CCC(c4ccccc4)(c4ccccc4)C3=O)n2)cc1
InChIInChI=1S/C29H29N3O2/c1-28(2,3)22-16-14-21(15-17-22)26-30-25(34-31-26)20-32-19-18-29(27(32)33,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17H,18-20H2,1-3H3
InChIKeyUCFODDSLTRKMOP-UHFFFAOYSA-N
XLogP5.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one with MolForge

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Related Compounds

1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 86640840
3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
CID 67446410
3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
CID 67360329
N-benzyl-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143586
7-anilino-2-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 95920787
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43932200
1-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 67359678
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 95921899
[1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 38143577
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9209344

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one (CID 67376354) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one is CC(C)(C)c1ccc(-c2noc(CN3CCC(c4ccccc4)(c4ccccc4)C3=O)n2)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
The InChIKey is UCFODDSLTRKMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-28(2,3)22-16-14-21(15-17-22)26-30-25(34-31-26)20-32-19-18-29(27(32)33,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17H,18-20H2,1-3H3.
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one has a molecular weight of 451.57 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one is sourced from PubChem (CID 67376354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).