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

C23H18FN3O2 — CID 50795624

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H18FN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-16-7-3-1-4-8-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,25,28)
InChIKeyVMXRTPIYSXKDOI-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.32
Rot. Bonds6

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 50795624) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
PubChem CID50795624
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H18FN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-16-7-3-1-4-8-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,25,28)
InChIKeyVMXRTPIYSXKDOI-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (CID 50795624) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is VMXRTPIYSXKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-13-11-17(12-14-19)21(25-20(28)15-16-7-3-1-4-8-16)23-27-26-22(29-23)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 387.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 50795624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).