2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone

C19H25N5O4S — CID 158356617

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CC(S(=O)(=O)N2CCC(c3cccnn3)CC2)C1
InChIInChI=1S/C19H25N5O4S/c1-13-17(14(2)28-22-13)10-19(25)23-11-16(12-23)29(26,27)24-8-5-15(6-9-24)18-4-3-7-20-21-18/h3-4,7,15-16H,5-6,8-12H2,1-2H3
InChIKeyGSYNLRNMJQHHND-UHFFFAOYSA-N
MW419.51 g/mol
LogP1.04
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone (PubChem CID 158356617) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone
PubChem CID158356617
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CC(S(=O)(=O)N2CCC(c3cccnn3)CC2)C1
InChIInChI=1S/C19H25N5O4S/c1-13-17(14(2)28-22-13)10-19(25)23-11-16(12-23)29(26,27)24-8-5-15(6-9-24)18-4-3-7-20-21-18/h3-4,7,15-16H,5-6,8-12H2,1-2H3
InChIKeyGSYNLRNMJQHHND-UHFFFAOYSA-N
XLogP1.04
TPSA109.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]ethanone
CID 146372848
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
CID 146372878
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 127246561
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 91910350
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 90505792
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566099

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone (CID 158356617) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CC(S(=O)(=O)N2CCC(c3cccnn3)CC2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone?
The InChIKey is GSYNLRNMJQHHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-13-17(14(2)28-22-13)10-19(25)23-11-16(12-23)29(26,27)24-8-5-15(6-9-24)18-4-3-7-20-21-18/h3-4,7,15-16H,5-6,8-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone has a molecular weight of 419.51 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-pyridazin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone is sourced from PubChem (CID 158356617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).