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

C11H14N4O3S — CID 71975505

IUPACN-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H14N4O3S/c1-11(2,15-19(3,16)17)10-13-9(14-18-10)8-4-6-12-7-5-8/h4-7,15H,1-3H3
InChIKeyAQZDELJAJDWHHO-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.92
Rot. Bonds4

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

N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide (PubChem CID 71975505) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide
PubChem CID71975505
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H14N4O3S/c1-11(2,15-19(3,16)17)10-13-9(14-18-10)8-4-6-12-7-5-8/h4-7,15H,1-3H3
InChIKeyAQZDELJAJDWHHO-UHFFFAOYSA-N
XLogP0.92
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide (CID 71975505) is N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide?
The InChIKey is AQZDELJAJDWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-11(2,15-19(3,16)17)10-13-9(14-18-10)8-4-6-12-7-5-8/h4-7,15H,1-3H3.
What are the key properties of N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide?
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 71975505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).