5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C17H14FN3O2 — CID 110392448

IUPAC5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C17H14FN3O2/c18-14-8-4-7-13(11-14)16-20-21-17(23-16)15(22)19-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)
InChIKeyPWCPWDQURBVGNH-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.85
Rot. Bonds5

About 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392448) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392448
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C17H14FN3O2/c18-14-8-4-7-13(11-14)16-20-21-17(23-16)15(22)19-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)
InChIKeyPWCPWDQURBVGNH-UHFFFAOYSA-N
XLogP2.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392445
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521
5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081224
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392448) is 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCc1ccccc1)c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PWCPWDQURBVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-8-4-7-13(11-14)16-20-21-17(23-16)15(22)19-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22).
What are the key properties of 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).