5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole

C15H18N2O — CID 66854958

IUPAC5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2ccccc2)on1
InChIInChI=1S/C15H18N2O/c1-12-10-15(18-16-12)14-8-5-9-17(14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3/t14-/m0/s1
InChIKeyDNRJSGLWVQUNSK-AWEZNQCLSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds3

About 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 66854958) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID66854958
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2ccccc2)on1
InChIInChI=1S/C15H18N2O/c1-12-10-15(18-16-12)14-8-5-9-17(14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3/t14-/m0/s1
InChIKeyDNRJSGLWVQUNSK-AWEZNQCLSA-N
XLogP3.32
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-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

3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927
5-[(2S)-1-[(3-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584498
3-methyl-5-[(2S)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95056192
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100
5-[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53009613
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 66854958) is 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is Cc1cc([C@@H]2CCCN2Cc2ccccc2)on1.
What is the InChIKey of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is DNRJSGLWVQUNSK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-10-15(18-16-12)14-8-5-9-17(14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 66854958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).