N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide

C15H21N3O4S — CID 154782682

IUPACN-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
SMILESCOc1ccc(Cc2nc(C(C)(C)NS(C)(=O)=O)no2)c(C)c1
InChIInChI=1S/C15H21N3O4S/c1-10-8-12(21-4)7-6-11(10)9-13-16-14(17-22-13)15(2,3)18-23(5,19)20/h6-8,18H,9H2,1-5H3
InChIKeyFURKBHHIBHEBHY-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.76
Rot. Bonds6

About N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide

N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide (PubChem CID 154782682) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
PubChem CID154782682
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
SMILESCOc1ccc(Cc2nc(C(C)(C)NS(C)(=O)=O)no2)c(C)c1
InChIInChI=1S/C15H21N3O4S/c1-10-8-12(21-4)7-6-11(10)9-13-16-14(17-22-13)15(2,3)18-23(5,19)20/h6-8,18H,9H2,1-5H3
InChIKeyFURKBHHIBHEBHY-UHFFFAOYSA-N
XLogP1.76
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide (CID 154782682) is N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide is COc1ccc(Cc2nc(C(C)(C)NS(C)(=O)=O)no2)c(C)c1.
What is the InChIKey of N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
The InChIKey is FURKBHHIBHEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-10-8-12(21-4)7-6-11(10)9-13-16-14(17-22-13)15(2,3)18-23(5,19)20/h6-8,18H,9H2,1-5H3.
What are the key properties of N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-methoxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 154782682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).