3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C20H20FN3O3 — CID 50765623

IUPAC3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccccc1OCc1nc(CCN(C)C(=O)c2cccc(F)c2)no1
InChIInChI=1S/C20H20FN3O3/c1-14-6-3-4-9-17(14)26-13-19-22-18(23-27-19)10-11-24(2)20(25)15-7-5-8-16(21)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyWFPZQFDGSZQYSD-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.41
Rot. Bonds7

About 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 50765623) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID50765623
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccccc1OCc1nc(CCN(C)C(=O)c2cccc(F)c2)no1
InChIInChI=1S/C20H20FN3O3/c1-14-6-3-4-9-17(14)26-13-19-22-18(23-27-19)10-11-24(2)20(25)15-7-5-8-16(21)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyWFPZQFDGSZQYSD-UHFFFAOYSA-N
XLogP3.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765653
2,6-difluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765645
4-fluoro-N-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765729
N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide
CID 50765719
1-[2-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)-1-methylurea
CID 53055523
2,6-difluoro-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765620
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
3,5-dimethoxy-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765669
N,4-dimethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056044
N,2,5-trimethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056053
3-(3-bromophenyl)-1-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
CID 53055435

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 50765623) is 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is Cc1ccccc1OCc1nc(CCN(C)C(=O)c2cccc(F)c2)no1.
What is the InChIKey of 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is WFPZQFDGSZQYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-14-6-3-4-9-17(14)26-13-19-22-18(23-27-19)10-11-24(2)20(25)15-7-5-8-16(21)12-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 50765623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).