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

C26H28N4O3 — CID 95116486

IUPAC(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(-c2noc([C@H]3CCCN3C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1
InChIInChI=1S/C26H28N4O3/c1-16-6-4-7-19(12-16)24-27-25(33-28-24)22-8-5-11-29(22)26(32)20-14-23(31)30(15-20)21-10-9-17(2)18(3)13-21/h4,6-7,9-10,12-13,20,22H,5,8,11,14-15H2,1-3H3/t20-,22-/m1/s1
InChIKeyVMDKJBSTBBAXKQ-IFMALSPDSA-N
MW444.54 g/mol
LogP4.38
Rot. Bonds4

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

(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95116486) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is (4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95116486
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(-c2noc([C@H]3CCCN3C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1
InChIInChI=1S/C26H28N4O3/c1-16-6-4-7-19(12-16)24-27-25(33-28-24)22-8-5-11-29(22)26(32)20-14-23(31)30(15-20)21-10-9-17(2)18(3)13-21/h4,6-7,9-10,12-13,20,22H,5,8,11,14-15H2,1-3H3/t20-,22-/m1/s1
InChIKeyVMDKJBSTBBAXKQ-IFMALSPDSA-N
XLogP4.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116491
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
(2S)-N-(3,4-dimethylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7271519
(4R)-1-(3-chloro-4-methylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015145
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
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90564590
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342
(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4566274
N-butyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760781

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (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) is (4R)-1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(-c2noc([C@H]3CCCN3C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1.
What is the InChIKey of (4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VMDKJBSTBBAXKQ-IFMALSPDSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-6-4-7-19(12-16)24-27-25(33-28-24)22-8-5-11-29(22)26(32)20-14-23(31)30(15-20)21-10-9-17(2)18(3)13-21/h4,6-7,9-10,12-13,20,22H,5,8,11,14-15H2,1-3H3/t20-,22-/m1/s1.
What are the key properties of (4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 444.54 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95116486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).