3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole

C18H20N4OS — CID 95122685

IUPAC3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1ccccc1-c1ncc(CN2CCC[C@@H]2c2nonc2C)s1
InChIInChI=1S/C18H20N4OS/c1-12-6-3-4-7-15(12)18-19-10-14(24-18)11-22-9-5-8-16(22)17-13(2)20-23-21-17/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3/t16-/m1/s1
InChIKeyVTSOXYNRSMFSOY-MRXNPFEDSA-N
MW340.45 g/mol
LogP4.15
Rot. Bonds4

About 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole

3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole (PubChem CID 95122685) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
PubChem CID95122685
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1ccccc1-c1ncc(CN2CCC[C@@H]2c2nonc2C)s1
InChIInChI=1S/C18H20N4OS/c1-12-6-3-4-7-15(12)18-19-10-14(24-18)11-22-9-5-8-16(22)17-13(2)20-23-21-17/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3/t16-/m1/s1
InChIKeyVTSOXYNRSMFSOY-MRXNPFEDSA-N
XLogP4.15
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole (CID 95122685) is 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole is Cc1ccccc1-c1ncc(CN2CCC[C@@H]2c2nonc2C)s1.
What is the InChIKey of 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The InChIKey is VTSOXYNRSMFSOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-6-3-4-7-15(12)18-19-10-14(24-18)11-22-9-5-8-16(22)17-13(2)20-23-21-17/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole has a molecular weight of 340.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 95122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).