[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate

C15H16N4O5S — CID 2742689

IUPAC[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate
SMILESCc1noc(C)c1-c1nc(-c2ccc(OS(=O)(=O)N(C)C)cc2)no1
InChIInChI=1S/C15H16N4O5S/c1-9-13(10(2)22-17-9)15-16-14(18-23-15)11-5-7-12(8-6-11)24-25(20,21)19(3)4/h5-8H,1-4H3
InChIKeyOURRXIFQVMBPJH-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.19
Rot. Bonds5

About [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate

[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate (PubChem CID 2742689) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate
PubChem CID2742689
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate
SMILESCc1noc(C)c1-c1nc(-c2ccc(OS(=O)(=O)N(C)C)cc2)no1
InChIInChI=1S/C15H16N4O5S/c1-9-13(10(2)22-17-9)15-16-14(18-23-15)11-5-7-12(8-6-11)24-25(20,21)19(3)4/h5-8H,1-4H3
InChIKeyOURRXIFQVMBPJH-UHFFFAOYSA-N
XLogP2.19
TPSA111.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate with MolForge

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Related Compounds

[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate
CID 2742690
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 2742677
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886
N,3,5-trimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94872741
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,4,6-trimethylbenzenesulfonate
CID 33147038
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,4-difluorobenzenesulfonate
CID 33147004
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-fluoro-5-methylbenzenesulfonate
CID 39623861
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43514782
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate (CID 2742689) is [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate is Cc1noc(C)c1-c1nc(-c2ccc(OS(=O)(=O)N(C)C)cc2)no1.
What is the InChIKey of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate?
The InChIKey is OURRXIFQVMBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-9-13(10(2)22-17-9)15-16-14(18-23-15)11-5-7-12(8-6-11)24-25(20,21)19(3)4/h5-8H,1-4H3.
What are the key properties of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate?
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate has a molecular weight of 364.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 2742689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).