5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine

C13H17FN4O3S — CID 137341731

IUPAC5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine
SMILESCN(C)Cc1nnc(NCCS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C13H17FN4O3S/c1-18(2)9-12-16-17-13(21-12)15-7-8-22(19,20)11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyZRZFNLNGFIYVIP-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.16
Rot. Bonds7

About 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine

5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137341731) has the molecular formula C13H17FN4O3S and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine
PubChem CID137341731
Molecular FormulaC13H17FN4O3S
Molecular Weight328.37 g/mol
Exact Mass328.10
IUPAC Name5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine
SMILESCN(C)Cc1nnc(NCCS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C13H17FN4O3S/c1-18(2)9-12-16-17-13(21-12)15-7-8-22(19,20)11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyZRZFNLNGFIYVIP-UHFFFAOYSA-N
XLogP1.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide
CID 137334187
5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137342888
5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456081
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512341
2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383634
3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43973273
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890412
3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16917587
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
3-[3-(4-fluorophenyl)sulfonylpropyl-methylamino]propanoic acid
CID 119911146
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine (CID 137341731) is 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine is CN(C)Cc1nnc(NCCS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZRZFNLNGFIYVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3S/c1-18(2)9-12-16-17-13(21-12)15-7-8-22(19,20)11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine?
5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 328.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)sulfonylethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137341731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).