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

C12H12FN3O2 — CID 166210314

IUPAC4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CN(C)C(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H12FN3O2/c1-8-14-15-11(18-8)7-16(2)12(17)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3
InChIKeyALVSBXITTAALCT-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.79
Rot. Bonds3

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

4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 166210314) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID166210314
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CN(C)C(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H12FN3O2/c1-8-14-15-11(18-8)7-16(2)12(17)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3
InChIKeyALVSBXITTAALCT-UHFFFAOYSA-N
XLogP1.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 90647380
3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide
CID 169421992
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
CID 64716915
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 172669663
N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide
CID 137334187

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 166210314) is 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1nnc(CN(C)C(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is ALVSBXITTAALCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-8-14-15-11(18-8)7-16(2)12(17)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 166210314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).