2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide

C21H23N5O3 — CID 25338373

IUPAC2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)cc1
InChIInChI=1S/C21H23N5O3/c1-26-13-15(23-19(27)11-14-6-8-16(28-2)9-7-14)12-18(26)21-24-20(25-29-21)17-5-3-4-10-22-17/h3-10,15,18H,11-13H2,1-2H3,(H,23,27)/t15-,18-/m0/s1
InChIKeyYGGQQKOYXYPVOE-YJBOKZPZSA-N
MW393.45 g/mol
LogP2.24
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide

2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide (PubChem CID 25338373) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
PubChem CID25338373
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)cc1
InChIInChI=1S/C21H23N5O3/c1-26-13-15(23-19(27)11-14-6-8-16(28-2)9-7-14)12-18(26)21-24-20(25-29-21)17-5-3-4-10-22-17/h3-10,15,18H,11-13H2,1-2H3,(H,23,27)/t15-,18-/m0/s1
InChIKeyYGGQQKOYXYPVOE-YJBOKZPZSA-N
XLogP2.24
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide 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

2-(4-methoxyphenyl)-N-[1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]acetamide
CID 74577385
N-[1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 74442693
2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 28960803
1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 74577351
4-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-4-oxobutanoic acid
CID 25338759
4-[[1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-4-oxobutanoic acid
CID 74443061
4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
CID 25338790
4-fluoro-N-[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]benzamide
CID 25338550
N-[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 25338586
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 26744186
1-ethyl-3-[1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 74443067
1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 28960641

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide (CID 25338373) is 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide is COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is YGGQQKOYXYPVOE-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26-13-15(23-19(27)11-14-6-8-16(28-2)9-7-14)12-18(26)21-24-20(25-29-21)17-5-3-4-10-22-17/h3-10,15,18H,11-13H2,1-2H3,(H,23,27)/t15-,18-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 25338373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).