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

C20H22N4O4S — CID 110218456

IUPAC5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2nc(C)ncc2-c2cc(C)no2)cc1
InChIInChI=1S/C20H22N4O4S/c1-13-11-19(28-23-13)17-12-21-14(2)22-20(17)18-5-4-10-24(18)29(25,26)16-8-6-15(27-3)7-9-16/h6-9,11-12,18H,4-5,10H2,1-3H3
InChIKeyDYSWCBOFPNXGPZ-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.28
Rot. Bonds5

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

5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 110218456) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID110218456
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2nc(C)ncc2-c2cc(C)no2)cc1
InChIInChI=1S/C20H22N4O4S/c1-13-11-19(28-23-13)17-12-21-14(2)22-20(17)18-5-4-10-24(18)29(25,26)16-8-6-15(27-3)7-9-16/h6-9,11-12,18H,4-5,10H2,1-3H3
InChIKeyDYSWCBOFPNXGPZ-UHFFFAOYSA-N
XLogP3.28
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554471
5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809291
5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
CID 95814992
(5-chloro-2-methoxyphenyl)-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218452
2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110218458
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
5-[5-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860513
[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110218535
5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809417
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110218537

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 110218456) is 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole is COc1ccc(S(=O)(=O)N2CCCC2c2nc(C)ncc2-c2cc(C)no2)cc1.
What is the InChIKey of 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is DYSWCBOFPNXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-11-19(28-23-13)17-12-21-14(2)22-20(17)18-5-4-10-24(18)29(25,26)16-8-6-15(27-3)7-9-16/h6-9,11-12,18H,4-5,10H2,1-3H3.
What are the key properties of 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 414.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 110218456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).