5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide

C16H11F2N3O2 — CID 110393360

IUPAC5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C16H11F2N3O2/c17-11-7-4-8-12(18)14(11)19-15(22)16-21-20-13(23-16)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)
InChIKeyQGMGPEUDIYLLFP-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.19
Rot. Bonds4

About 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393360) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393360
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C16H11F2N3O2/c17-11-7-4-8-12(18)14(11)19-15(22)16-21-20-13(23-16)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)
InChIKeyQGMGPEUDIYLLFP-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393337
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392971
5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393199
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
N-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393466
ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
CID 110393338
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393360) is 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1c(F)cccc1F)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QGMGPEUDIYLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-11-7-4-8-12(18)14(11)19-15(22)16-21-20-13(23-16)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22).
What are the key properties of 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 315.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).