4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C14H17BrN4O4S — CID 122259149

IUPAC4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C14H17BrN4O4S/c1-9-13(10(2)23-18-9)24(20,21)19-5-3-4-12(8-19)22-14-16-6-11(15)7-17-14/h6-7,12H,3-5,8H2,1-2H3
InChIKeyAWLGSZMMNMULMU-UHFFFAOYSA-N
MW417.29 g/mol
LogP2.08
Rot. Bonds4

About 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 122259149) has the molecular formula C14H17BrN4O4S and a molecular weight of 417.29 g/mol. Its IUPAC name is 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID122259149
Molecular FormulaC14H17BrN4O4S
Molecular Weight417.29 g/mol
Exact Mass416.02
IUPAC Name4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C14H17BrN4O4S/c1-9-13(10(2)23-18-9)24(20,21)19-5-3-4-12(8-19)22-14-16-6-11(15)7-17-14/h6-7,12H,3-5,8H2,1-2H3
InChIKeyAWLGSZMMNMULMU-UHFFFAOYSA-N
XLogP2.08
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 100643933
5-bromo-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259198
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63878245
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 122259149) is 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is AWLGSZMMNMULMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O4S/c1-9-13(10(2)23-18-9)24(20,21)19-5-3-4-12(8-19)22-14-16-6-11(15)7-17-14/h6-7,12H,3-5,8H2,1-2H3.
What are the key properties of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 417.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 122259149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).