3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole

C15H20N4O3S — CID 95848371

IUPAC3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1ccnc([C@]2(C)CCCN2S(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C15H20N4O3S/c1-10-6-8-16-14(17-10)15(4)7-5-9-19(15)23(20,21)13-11(2)18-22-12(13)3/h6,8H,5,7,9H2,1-4H3/t15-/m0/s1
InChIKeyJBHLXWBLDANZML-HNNXBMFYSA-N
MW336.42 g/mol
LogP2.09
Rot. Bonds3

About 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 95848371) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID95848371
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1ccnc([C@]2(C)CCCN2S(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C15H20N4O3S/c1-10-6-8-16-14(17-10)15(4)7-5-9-19(15)23(20,21)13-11(2)18-22-12(13)3/h6,8H,5,7,9H2,1-4H3/t15-/m0/s1
InChIKeyJBHLXWBLDANZML-HNNXBMFYSA-N
XLogP2.09
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole (CID 95848371) is 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole is Cc1ccnc([C@]2(C)CCCN2S(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is JBHLXWBLDANZML-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-6-8-16-14(17-10)15(4)7-5-9-19(15)23(20,21)13-11(2)18-22-12(13)3/h6,8H,5,7,9H2,1-4H3/t15-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 336.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 95848371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).