N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide

C14H20N4O3S — CID 120864944

IUPACN-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCNC(C)Cc1noc(-c2ccc(C)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C14H20N4O3S/c1-9-5-6-11(8-12(9)18-22(4,19)20)14-16-13(17-21-14)7-10(2)15-3/h5-6,8,10,15,18H,7H2,1-4H3
InChIKeyMQSZEMOGXDGHDT-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.57
Rot. Bonds6

About N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide

N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (PubChem CID 120864944) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
PubChem CID120864944
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCNC(C)Cc1noc(-c2ccc(C)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C14H20N4O3S/c1-9-5-6-11(8-12(9)18-22(4,19)20)14-16-13(17-21-14)7-10(2)15-3/h5-6,8,10,15,18H,7H2,1-4H3
InChIKeyMQSZEMOGXDGHDT-UHFFFAOYSA-N
XLogP1.57
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120866549
N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167764183
N-methyl-1-[5-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120869514
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (CID 120864944) is N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is CNC(C)Cc1noc(-c2ccc(C)c(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is MQSZEMOGXDGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9-5-6-11(8-12(9)18-22(4,19)20)14-16-13(17-21-14)7-10(2)15-3/h5-6,8,10,15,18H,7H2,1-4H3.
What are the key properties of N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 120864944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).