2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C20H23N3O3S — CID 45179469

IUPAC2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCOc1cccc(-c2nc(CN3CCCC3c3nccs3)c(C)o2)c1OC
InChIInChI=1S/C20H23N3O3S/c1-13-15(12-23-10-5-7-16(23)20-21-9-11-27-20)22-19(26-13)14-6-4-8-17(24-2)18(14)25-3/h4,6,8-9,11,16H,5,7,10,12H2,1-3H3
InChIKeyAIFXBYOVHUDIPC-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.46
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 45179469) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID45179469
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCOc1cccc(-c2nc(CN3CCCC3c3nccs3)c(C)o2)c1OC
InChIInChI=1S/C20H23N3O3S/c1-13-15(12-23-10-5-7-16(23)20-21-9-11-27-20)22-19(26-13)14-6-4-8-17(24-2)18(14)25-3/h4,6,8-9,11,16H,5,7,10,12H2,1-3H3
InChIKeyAIFXBYOVHUDIPC-UHFFFAOYSA-N
XLogP4.46
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole 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-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
3-[(2R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135890208
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[[2-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45188798
(3S)-4-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-2-one
CID 25278696
2-[(2R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99927338

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 45179469) is 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is COc1cccc(-c2nc(CN3CCCC3c3nccs3)c(C)o2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is AIFXBYOVHUDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-15(12-23-10-5-7-16(23)20-21-9-11-27-20)22-19(26-13)14-6-4-8-17(24-2)18(14)25-3/h4,6,8-9,11,16H,5,7,10,12H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 385.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 45179469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).