5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole

C18H24N2O3S — CID 50809596

IUPAC5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)no1
InChIInChI=1S/C18H24N2O3S/c1-13(2)11-15-6-8-16(9-7-15)24(21,22)20-10-4-5-18(20)17-12-14(3)23-19-17/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKeyKVTGCBJGXLMWPL-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.71
Rot. Bonds5

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

5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 50809596) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID50809596
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)no1
InChIInChI=1S/C18H24N2O3S/c1-13(2)11-15-6-8-16(9-7-15)24(21,22)20-10-4-5-18(20)17-12-14(3)23-19-17/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKeyKVTGCBJGXLMWPL-UHFFFAOYSA-N
XLogP3.71
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877769
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893941
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
3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92877789
3-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92894002
3-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 47002052
N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 115316524

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole (CID 50809596) is 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)no1.
What is the InChIKey of 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is KVTGCBJGXLMWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13(2)11-15-6-8-16(9-7-15)24(21,22)20-10-4-5-18(20)17-12-14(3)23-19-17/h6-9,12-13,18H,4-5,10-11H2,1-3H3.
What are the key properties of 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole?
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 348.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 50809596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).