N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide

C22H22N4O5S — CID 70072551

IUPACN-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide
SMILESCc1nc(-c2ccc(N3CC(CN(C)S(=O)(=O)C=Cc4ccccc4)OC3=O)cc2)no1
InChIInChI=1S/C22H22N4O5S/c1-16-23-21(24-31-16)18-8-10-19(11-9-18)26-15-20(30-22(26)27)14-25(2)32(28,29)13-12-17-6-4-3-5-7-17/h3-13,20H,14-15H2,1-2H3
InChIKeyVHILTYLHXOPYCH-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.30
Rot. Bonds7

About N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide

N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide (PubChem CID 70072551) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide
PubChem CID70072551
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC NameN-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide
SMILESCc1nc(-c2ccc(N3CC(CN(C)S(=O)(=O)C=Cc4ccccc4)OC3=O)cc2)no1
InChIInChI=1S/C22H22N4O5S/c1-16-23-21(24-31-16)18-8-10-19(11-9-18)26-15-20(30-22(26)27)14-25(2)32(28,29)13-12-17-6-4-3-5-7-17/h3-13,20H,14-15H2,1-2H3
InChIKeyVHILTYLHXOPYCH-UHFFFAOYSA-N
XLogP3.30
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 54541927
5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57250790
N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide
CID 54452960
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
CID 151574030
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54156009
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
CID 70098731
dibenzyl 2-[4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 70050476
5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide
CID 139910192
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
CID 158204711
4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 159182329
[2-oxo-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methylthiourea
CID 86298317
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54318818

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide (CID 70072551) is N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide is Cc1nc(-c2ccc(N3CC(CN(C)S(=O)(=O)C=Cc4ccccc4)OC3=O)cc2)no1.
What is the InChIKey of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide?
The InChIKey is VHILTYLHXOPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-16-23-21(24-31-16)18-8-10-19(11-9-18)26-15-20(30-22(26)27)14-25(2)32(28,29)13-12-17-6-4-3-5-7-17/h3-13,20H,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide?
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 70072551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).