3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

C16H19BrN2O3S — CID 92877769

IUPAC3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C16H19BrN2O3S/c1-11(2)16-10-14(18-22-16)15-4-3-9-19(15)23(20,21)13-7-5-12(17)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3/t15-/m1/s1
InChIKeyLOQQHZKACDGMJR-OAHLLOKOSA-N
MW399.31 g/mol
LogP4.09
Rot. Bonds4

About 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (PubChem CID 92877769) has the molecular formula C16H19BrN2O3S and a molecular weight of 399.31 g/mol. Its IUPAC name is 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
PubChem CID92877769
Molecular FormulaC16H19BrN2O3S
Molecular Weight399.31 g/mol
Exact Mass398.03
IUPAC Name3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C16H19BrN2O3S/c1-11(2)16-10-14(18-22-16)15-4-3-9-19(15)23(20,21)13-7-5-12(17)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3/t15-/m1/s1
InChIKeyLOQQHZKACDGMJR-OAHLLOKOSA-N
XLogP4.09
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-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-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893941
3-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 47002052
3-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92894002
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
3-[(2R)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877793
1-[7-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 92893967
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
3-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92502865
3-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893943
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893944

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (CID 92877769) is 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)no1.
What is the InChIKey of 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is LOQQHZKACDGMJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19BrN2O3S/c1-11(2)16-10-14(18-22-16)15-4-3-9-19(15)23(20,21)13-7-5-12(17)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 399.31 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 92877769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).