[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C20H22N4O3S — CID 71846290

IUPAC[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N3CCCC3c3nnc(C)o3)s2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-26-15-9-7-14(8-10-15)19-21-12(2)17(28-19)20(25)24-11-5-6-16(24)18-23-22-13(3)27-18/h7-10,16H,4-6,11H2,1-3H3
InChIKeyYQTUXRSCELVCIZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.19
Rot. Bonds5

About [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 71846290) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID71846290
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N3CCCC3c3nnc(C)o3)s2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-26-15-9-7-14(8-10-15)19-21-12(2)17(28-19)20(25)24-11-5-6-16(24)18-23-22-13(3)27-18/h7-10,16H,4-6,11H2,1-3H3
InChIKeyYQTUXRSCELVCIZ-UHFFFAOYSA-N
XLogP4.19
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone 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

[4-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 68497905
N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 33401450
1-[(4-Methoxyphenyl)methyl]-4-[5-(4-methyl-1,3-thiazol-5-YL)-1,3,4-oxadiazol-2-YL]piperidine
CID 92598894
N-(furan-2-ylmethyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 8035114
N-(2-(3-(4-ethoxyphenyl)-6-oxopyridazin-1(6H)-yl)ethyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 41241229
N-[(Furan-2-YL)methyl]-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-YL]acetamide
CID 53103658
2-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 25621164
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 18119030
N-(furan-2-ylmethyl)-N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 25662021
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 32406177
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 34358141
2-(furan-2-yl)-N,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 37491598

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 71846290) is [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is CCOc1ccc(-c2nc(C)c(C(=O)N3CCCC3c3nnc(C)o3)s2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YQTUXRSCELVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-4-26-15-9-7-14(8-10-15)19-21-12(2)17(28-19)20(25)24-11-5-6-16(24)18-23-22-13(3)27-18/h7-10,16H,4-6,11H2,1-3H3.
What are the key properties of [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 398.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71846290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).