(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

C25H26N4O3 — CID 95116491

IUPAC(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3nc(-c4cccc(C)c4)no3)CC2=O)cc1
InChIInChI=1S/C25H26N4O3/c1-16-8-10-20(11-9-16)29-15-19(14-22(29)30)25(31)28-12-4-7-21(28)24-26-23(27-32-24)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,19,21H,4,7,12,14-15H2,1-2H3/t19-,21-/m1/s1
InChIKeyLDJZVANPZWPBPZ-TZIWHRDSSA-N
MW430.51 g/mol
LogP4.07
Rot. Bonds4

About (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95116491) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95116491
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3nc(-c4cccc(C)c4)no3)CC2=O)cc1
InChIInChI=1S/C25H26N4O3/c1-16-8-10-20(11-9-16)29-15-19(14-22(29)30)25(31)28-12-4-7-21(28)24-26-23(27-32-24)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,19,21H,4,7,12,14-15H2,1-2H3/t19-,21-/m1/s1
InChIKeyLDJZVANPZWPBPZ-TZIWHRDSSA-N
XLogP4.07
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116486
cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760304
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
(3S)-N-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746374
2-(4-methylphenoxy)-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 53206144
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
2-(3-methylphenyl)-1-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91906354
2-(3-methylphenyl)-1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 98042119

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 95116491) is (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3nc(-c4cccc(C)c4)no3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is LDJZVANPZWPBPZ-TZIWHRDSSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-8-10-20(11-9-16)29-15-19(14-22(29)30)25(31)28-12-4-7-21(28)24-26-23(27-32-24)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,19,21H,4,7,12,14-15H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 430.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95116491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).