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

C16H20N2O5S — CID 50809417

IUPAC5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC2c2cc(C)no2)c1
InChIInChI=1S/C16H20N2O5S/c1-11-9-15(23-17-11)13-5-4-8-18(13)24(19,20)16-10-12(21-2)6-7-14(16)22-3/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyXAAZNCGKAFSSOK-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.53
Rot. Bonds5

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

5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 50809417) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID50809417
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC2c2cc(C)no2)c1
InChIInChI=1S/C16H20N2O5S/c1-11-9-15(23-17-11)13-5-4-8-18(13)24(19,20)16-10-12(21-2)6-7-14(16)22-3/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyXAAZNCGKAFSSOK-UHFFFAOYSA-N
XLogP2.53
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809291
5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
3-[(2R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893996
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139306
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809125
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
CID 55435590
(4aS,8aR)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51984083
5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 61044817
2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
CID 51335834
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 50809417) is 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is COc1ccc(OC)c(S(=O)(=O)N2CCCC2c2cc(C)no2)c1.
What is the InChIKey of 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is XAAZNCGKAFSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11-9-15(23-17-11)13-5-4-8-18(13)24(19,20)16-10-12(21-2)6-7-14(16)22-3/h6-7,9-10,13H,4-5,8H2,1-3H3.
What are the key properties of 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 352.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 50809417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).