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

C19H21N3OS — CID 125026769

IUPAC5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole
SMILESCc1ncsc1CN1CCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C19H21N3OS/c1-14-18(24-13-21-14)12-22-9-5-8-17(22)19-20-11-16(23-19)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,17H,5,8-10,12H2,1H3/t17-/m0/s1
InChIKeyZWAFPGNTCFNSIM-KRWDZBQOSA-N
MW339.46 g/mol
LogP4.37
Rot. Bonds5

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

5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole (PubChem CID 125026769) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole
PubChem CID125026769
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole
SMILESCc1ncsc1CN1CCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C19H21N3OS/c1-14-18(24-13-21-14)12-22-9-5-8-17(22)19-20-11-16(23-19)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,17H,5,8-10,12H2,1H3/t17-/m0/s1
InChIKeyZWAFPGNTCFNSIM-KRWDZBQOSA-N
XLogP4.37
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-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

4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 124998094
[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole
CID 110099284
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
CID 132767514
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124999923
2-[2-[[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 124953090
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 124999880
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
CID 124967184
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 124954942

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole (CID 125026769) is 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole is Cc1ncsc1CN1CCC[C@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is ZWAFPGNTCFNSIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-18(24-13-21-14)12-22-9-5-8-17(22)19-20-11-16(23-19)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,17H,5,8-10,12H2,1H3/t17-/m0/s1.
What are the key properties of 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole?
5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 339.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 125026769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).