5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

C19H26N2O3S — CID 92893936

IUPAC5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)no1
InChIInChI=1S/C19H26N2O3S/c1-5-7-16-12-17(20-24-16)18-8-6-9-21(18)25(22,23)19-14(3)10-13(2)11-15(19)4/h10-12,18H,5-9H2,1-4H3/t18-/m1/s1
InChIKeyJPOLBZKGPAGQNX-GOSISDBHSA-N
MW362.50 g/mol
LogP4.08
Rot. Bonds5

About 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 92893936) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID92893936
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)no1
InChIInChI=1S/C19H26N2O3S/c1-5-7-16-12-17(20-24-16)18-8-6-9-21(18)25(22,23)19-14(3)10-13(2)11-15(19)4/h10-12,18H,5-9H2,1-4H3/t18-/m1/s1
InChIKeyJPOLBZKGPAGQNX-GOSISDBHSA-N
XLogP4.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809472
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-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039
3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894114
3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92877789
3,5-dimethyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 46366323
3-[1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 46366338
3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
3-[(2R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893996
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
3-(3-methylphenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206258

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (CID 92893936) is 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is CCCc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)no1.
What is the InChIKey of 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is JPOLBZKGPAGQNX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-5-7-16-12-17(20-24-16)18-8-6-9-21(18)25(22,23)19-14(3)10-13(2)11-15(19)4/h10-12,18H,5-9H2,1-4H3/t18-/m1/s1.
What are the key properties of 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 362.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 92893936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).