5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole

C20H22N4O3S — CID 92554471

IUPAC5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(C)nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1
InChIInChI=1S/C20H22N4O3S/c1-14-12-19(27-23-14)17-13-21-15(2)22-20(17)18-10-6-7-11-24(18)28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3/t18-/m1/s1
InChIKeyLPBDOBZUJHHQQN-GOSISDBHSA-N
MW398.49 g/mol
LogP3.66
Rot. Bonds4

About 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 92554471) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID92554471
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(C)nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1
InChIInChI=1S/C20H22N4O3S/c1-14-12-19(27-23-14)17-13-21-15(2)22-20(17)18-10-6-7-11-24(18)28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3/t18-/m1/s1
InChIKeyLPBDOBZUJHHQQN-GOSISDBHSA-N
XLogP3.66
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 110218456
[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110218535
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110218537
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
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-(3,4-dichlorophenyl)-1-[(2S)-2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554412
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
5-[5-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860513
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine
CID 110118141
5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136766064
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 92554471) is 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1.
What is the InChIKey of 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is LPBDOBZUJHHQQN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-12-19(27-23-14)17-13-21-15(2)22-20(17)18-10-6-7-11-24(18)28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 398.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 92554471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).