4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole

C14H17BrN2O3S2 — CID 46366420

IUPAC4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O3S2/c1-3-11-14(9(2)16-20-11)10-5-4-8-17(10)22(18,19)13-7-6-12(15)21-13/h6-7,10H,3-5,8H2,1-2H3
InChIKeyNOZJXPGKXIOFLH-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.90
Rot. Bonds4

About 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole

4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 46366420) has the molecular formula C14H17BrN2O3S2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
PubChem CID46366420
Molecular FormulaC14H17BrN2O3S2
Molecular Weight405.34 g/mol
Exact Mass403.99
IUPAC Name4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O3S2/c1-3-11-14(9(2)16-20-11)10-5-4-8-17(10)22(18,19)13-7-6-12(15)21-13/h6-7,10H,3-5,8H2,1-2H3
InChIKeyNOZJXPGKXIOFLH-UHFFFAOYSA-N
XLogP3.90
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-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

5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 95116698
5-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206215
5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole
CID 92877952
5-ethyl-3-methyl-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole
CID 46366422
5-ethyl-3-methyl-4-[(2S)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877930
5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95116742
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
CID 63422446
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 55698155
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (CID 46366420) is 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1C1CCCN1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is NOZJXPGKXIOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S2/c1-3-11-14(9(2)16-20-11)10-5-4-8-17(10)22(18,19)13-7-6-12(15)21-13/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 405.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 46366420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).