(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine

C15H19N3O3S — CID 120766867

IUPAC(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
SMILESCc1cc(CS(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)on1
InChIInChI=1S/C15H19N3O3S/c1-11-7-13(21-17-11)10-22(19,20)18-8-14(15(16)9-18)12-5-3-2-4-6-12/h2-7,14-15H,8-10,16H2,1H3/t14-,15+/m0/s1
InChIKeyKOZPZOWIRNJXJJ-LSDHHAIUSA-N
MW321.40 g/mol
LogP1.24
Rot. Bonds4

About (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120766867) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
PubChem CID120766867
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
SMILESCc1cc(CS(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)on1
InChIInChI=1S/C15H19N3O3S/c1-11-7-13(21-17-11)10-22(19,20)18-8-14(15(16)9-18)12-5-3-2-4-6-12/h2-7,14-15H,8-10,16H2,1H3/t14-,15+/m0/s1
InChIKeyKOZPZOWIRNJXJJ-LSDHHAIUSA-N
XLogP1.24
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine 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

(3S,4R)-1-[(3-methylphenyl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766618
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
(3S,4R)-1-but-3-enylsulfonyl-4-phenylpyrrolidin-3-amine
CID 120766853
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(3S,4R)-1-(5-methylfuran-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766530
(3S,4R)-1-[(6-methyl-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766996
(3S,4R)-1-(2-methylpyrazol-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766460
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
CID 103576249
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3S,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766733

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine (CID 120766867) is (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine is Cc1cc(CS(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)on1.
What is the InChIKey of (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is KOZPZOWIRNJXJJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-7-13(21-17-11)10-22(19,20)18-8-14(15(16)9-18)12-5-3-2-4-6-12/h2-7,14-15H,8-10,16H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 321.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120766867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).