N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide

C18H15F2N3O3 — CID 17446530

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C18H15F2N3O3/c1-22(10-12-2-6-14(19)7-3-12)16(24)11-23-18(25)26-17(21-23)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3
InChIKeyCOGOSWFICQSORR-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.44
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide

N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 17446530) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID17446530
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C18H15F2N3O3/c1-22(10-12-2-6-14(19)7-3-12)16(24)11-23-18(25)26-17(21-23)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3
InChIKeyCOGOSWFICQSORR-UHFFFAOYSA-N
XLogP2.44
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,5-bis(4-methylphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3107378
3-[4-[Benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 134152668
1-[2-(4-fluorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579012
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 10890805
1-[2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579013
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184205
N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9270453
N-[(2-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9374840
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9379014
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 17447706
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 17449403

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide (CID 17446530) is N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is COGOSWFICQSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-22(10-12-2-6-14(19)7-3-12)16(24)11-23-18(25)26-17(21-23)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide?
N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 359.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 17446530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).