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

C19H18FN3O3 — CID 17449403

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C19H18FN3O3/c1-13-3-5-14(6-4-13)11-22(2)17(24)12-23-19(25)26-18(21-23)15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyGLAWDGISNQNDNQ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.61
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 17449403) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID17449403
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C19H18FN3O3/c1-13-3-5-14(6-4-13)11-22(2)17(24)12-23-19(25)26-18(21-23)15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyGLAWDGISNQNDNQ-UHFFFAOYSA-N
XLogP2.61
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 17449403) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is GLAWDGISNQNDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-13-3-5-14(6-4-13)11-22(2)17(24)12-23-19(25)26-18(21-23)15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 17449403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).