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

C15H18N2O4S — CID 50809291

IUPAC5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2cc(C)no2)cc1
InChIInChI=1S/C15H18N2O4S/c1-11-10-15(21-16-11)14-4-3-9-17(14)22(18,19)13-7-5-12(20-2)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyARPXFDKDSBHHGE-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.52
Rot. Bonds4

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

5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 50809291) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID50809291
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2cc(C)no2)cc1
InChIInChI=1S/C15H18N2O4S/c1-11-10-15(21-16-11)14-4-3-9-17(14)22(18,19)13-7-5-12(20-2)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyARPXFDKDSBHHGE-UHFFFAOYSA-N
XLogP2.52
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809417
5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809125
5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 110218456
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
3-(4-bromophenyl)-5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 5008973
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894205
5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 61044817
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 50809291) is 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is COc1ccc(S(=O)(=O)N2CCCC2c2cc(C)no2)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is ARPXFDKDSBHHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-10-15(21-16-11)14-4-3-9-17(14)22(18,19)13-7-5-12(20-2)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 322.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 50809291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).