[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone

C19H24N4O4S — CID 75474398

IUPAC[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone
SMILESCc1cc(CN2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)on1
InChIInChI=1S/C19H24N4O4S/c1-15-11-17(27-20-15)12-21-7-9-23(10-8-21)28(25,26)18-13-22(14-18)19(24)16-5-3-2-4-6-16/h2-6,11,18H,7-10,12-14H2,1H3
InChIKeyFKALHKUCWOTZOQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.96
Rot. Bonds5

About [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone

[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone (PubChem CID 75474398) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone
PubChem CID75474398
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone
SMILESCc1cc(CN2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)on1
InChIInChI=1S/C19H24N4O4S/c1-15-11-17(27-20-15)12-21-7-9-23(10-8-21)28(25,26)18-13-22(14-18)19(24)16-5-3-2-4-6-16/h2-6,11,18H,7-10,12-14H2,1H3
InChIKeyFKALHKUCWOTZOQ-UHFFFAOYSA-N
XLogP0.96
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
(3-aminophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399318
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 134063596
3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 51245976
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 29435317

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone (CID 75474398) is [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone is Cc1cc(CN2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)on1.
What is the InChIKey of [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone?
The InChIKey is FKALHKUCWOTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-15-11-17(27-20-15)12-21-7-9-23(10-8-21)28(25,26)18-13-22(14-18)19(24)16-5-3-2-4-6-16/h2-6,11,18H,7-10,12-14H2,1H3.
What are the key properties of [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone?
[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone has a molecular weight of 404.49 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone is sourced from PubChem (CID 75474398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).