3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C14H19N5O3S — CID 133326136

IUPAC3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCc1cc(C)nc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1
InChIInChI=1S/C14H19N5O3S/c1-11-9-12(2)16-14(15-11)18-4-6-19(7-5-18)23(20,21)10-13-3-8-22-17-13/h3,8-9H,4-7,10H2,1-2H3
InChIKeyJZSRZLBXNUOPCN-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.73
Rot. Bonds4

About 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 133326136) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID133326136
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCc1cc(C)nc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1
InChIInChI=1S/C14H19N5O3S/c1-11-9-12(2)16-14(15-11)18-4-6-19(7-5-18)23(20,21)10-13-3-8-22-17-13/h3,8-9H,4-7,10H2,1-2H3
InChIKeyJZSRZLBXNUOPCN-UHFFFAOYSA-N
XLogP0.73
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 99836914
4-chloro-2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]benzonitrile
CID 133326144
3-[[4-(3-methylbut-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988747
3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 133326237
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988744
2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920
4-methyl-6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122339896
2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333164
3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988746
3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326212
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 133326136) is 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is Cc1cc(C)nc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1.
What is the InChIKey of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is JZSRZLBXNUOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-11-9-12(2)16-14(15-11)18-4-6-19(7-5-18)23(20,21)10-13-3-8-22-17-13/h3,8-9H,4-7,10H2,1-2H3.
What are the key properties of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 337.41 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 133326136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).