(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C22H24N4O3 — CID 7219015

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-6-11-18(15(2)13-14)23-22(27)26-12-4-5-19(26)21-24-20(25-29-21)16-7-9-17(28-3)10-8-16/h6-11,13,19H,4-5,12H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyURTHXIAAHNKLLK-LJQANCHMSA-N
MW392.46 g/mol
LogP4.73
Rot. Bonds4

About (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 7219015) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID7219015
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-6-11-18(15(2)13-14)23-22(27)26-12-4-5-19(26)21-24-20(25-29-21)16-7-9-17(28-3)10-8-16/h6-11,13,19H,4-5,12H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyURTHXIAAHNKLLK-LJQANCHMSA-N
XLogP4.73
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7365353
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 7231950
(2R)-N-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7415297
(2R)-N-(2-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 93049749
(2S)-N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7347789
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 42760910
N-(2,4-dimethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 4665590
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 7216498
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039444
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7412499
(3,5-dimethylphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 75527838

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 7219015) is (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)cc3C)n2)cc1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is URTHXIAAHNKLLK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-6-11-18(15(2)13-14)23-22(27)26-12-4-5-19(26)21-24-20(25-29-21)16-7-9-17(28-3)10-8-16/h6-11,13,19H,4-5,12H2,1-3H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 7219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).