3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

C22H24N4O3 — CID 91920081

IUPAC3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(Oc3ccccc3-c3nc(C)no3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-7-9-17(10-8-15)13-23-22(27)26-12-11-18(14-26)28-20-6-4-3-5-19(20)21-24-16(2)25-29-21/h3-10,18H,11-14H2,1-2H3,(H,23,27)
InChIKeyXKZDKJOFICOWIU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.72
Rot. Bonds5

About 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 91920081) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID91920081
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(Oc3ccccc3-c3nc(C)no3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-7-9-17(10-8-15)13-23-22(27)26-12-11-18(14-26)28-20-6-4-3-5-19(20)21-24-16(2)25-29-21/h3-10,18H,11-14H2,1-2H3,(H,23,27)
InChIKeyXKZDKJOFICOWIU-UHFFFAOYSA-N
XLogP3.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
CID 70235898
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249
(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
CID 129416846
(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 124620229
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide (CID 91920081) is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(Oc3ccccc3-c3nc(C)no3)C2)cc1.
What is the InChIKey of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XKZDKJOFICOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-7-9-17(10-8-15)13-23-22(27)26-12-11-18(14-26)28-20-6-4-3-5-19(20)21-24-16(2)25-29-21/h3-10,18H,11-14H2,1-2H3,(H,23,27).
What are the key properties of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide?
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91920081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).