3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole

C16H20N2O3S — CID 92893944

IUPAC3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C16H20N2O3S/c1-2-7-13-12-15(17-21-13)16-10-6-11-18(16)22(19,20)14-8-4-3-5-9-14/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3/t16-/m1/s1
InChIKeyINECJHGBBBGMDV-MRXNPFEDSA-N
MW320.41 g/mol
LogP3.15
Rot. Bonds5

About 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 92893944) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID92893944
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C16H20N2O3S/c1-2-7-13-12-15(17-21-13)16-10-6-11-18(16)22(19,20)14-8-4-3-5-9-14/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3/t16-/m1/s1
InChIKeyINECJHGBBBGMDV-MRXNPFEDSA-N
XLogP3.15
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893943
3-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039
3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92877789
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809472
3-[1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 46366338
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893941
5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92893936
3-[(2R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893996
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
3-phenyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 22586744
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 92893944) is 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)no1.
What is the InChIKey of 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is INECJHGBBBGMDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-7-13-12-15(17-21-13)16-10-6-11-18(16)22(19,20)14-8-4-3-5-9-14/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 320.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 92893944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).