5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

C9H14N6O3S — CID 121195101

IUPAC5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)NCc1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C9H14N6O3S/c1-14(2)19(16,17)11-5-8-12-9(13-18-8)7-4-10-15(3)6-7/h4,6,11H,5H2,1-3H3
InChIKeyBPPOZBMSHOMJFY-UHFFFAOYSA-N
MW286.32 g/mol
LogP-0.63
Rot. Bonds5

About 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 121195101) has the molecular formula C9H14N6O3S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID121195101
Molecular FormulaC9H14N6O3S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)NCc1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C9H14N6O3S/c1-14(2)19(16,17)11-5-8-12-9(13-18-8)7-4-10-15(3)6-7/h4,6,11H,5H2,1-3H3
InChIKeyBPPOZBMSHOMJFY-UHFFFAOYSA-N
XLogP-0.63
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide
CID 121022149
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 121195118
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121195077
4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191349
N-[[5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
CID 71973848
6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65196396
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 121195101) is 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is CN(C)S(=O)(=O)NCc1nc(-c2cnn(C)c2)no1.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is BPPOZBMSHOMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S/c1-14(2)19(16,17)11-5-8-12-9(13-18-8)7-4-10-15(3)6-7/h4,6,11H,5H2,1-3H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 286.32 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 121195101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).