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

C19H18FN3O3 — CID 22576939

IUPACN-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(C)=O)C(C)(c3ccc(F)cc3)O2)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(24)21-17-10-4-14(5-11-17)18-22-23(13(2)25)19(3,26-18)15-6-8-16(20)9-7-15/h4-11H,1-3H3,(H,21,24)
InChIKeyMGERDYWBLXTHEG-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.20
Rot. Bonds3

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

N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 22576939) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID22576939
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(C)=O)C(C)(c3ccc(F)cc3)O2)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(24)21-17-10-4-14(5-11-17)18-22-23(13(2)25)19(3,26-18)15-6-8-16(20)9-7-15/h4-11H,1-3H3,(H,21,24)
InChIKeyMGERDYWBLXTHEG-UHFFFAOYSA-N
XLogP3.20
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 22576939) is N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(C(C)=O)C(C)(c3ccc(F)cc3)O2)cc1.
What is the InChIKey of N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is MGERDYWBLXTHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12(24)21-17-10-4-14(5-11-17)18-22-23(13(2)25)19(3,26-18)15-6-8-16(20)9-7-15/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 22576939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).