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

C16H16N4O3S — CID 71977773

IUPACN-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H16N4O3S/c1-20(24(21,22)12-13-6-3-2-4-7-13)11-15-18-16(19-23-15)14-8-5-9-17-10-14/h2-10H,11-12H2,1H3
InChIKeyGDYAHBRXQCHNBS-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.09
Rot. Bonds6

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

N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (PubChem CID 71977773) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
PubChem CID71977773
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H16N4O3S/c1-20(24(21,22)12-13-6-3-2-4-7-13)11-15-18-16(19-23-15)14-8-5-9-17-10-14/h2-10H,11-12H2,1H3
InChIKeyGDYAHBRXQCHNBS-UHFFFAOYSA-N
XLogP2.09
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94421822
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
4-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562701
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118779674
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55563076
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55624880

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (CID 71977773) is N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The InChIKey is GDYAHBRXQCHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20(24(21,22)12-13-6-3-2-4-7-13)11-15-18-16(19-23-15)14-8-5-9-17-10-14/h2-10H,11-12H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71977773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).