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

C10H7F2N3O2 — CID 110392971

IUPACN-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2c(F)cccc2F)o1
InChIInChI=1S/C10H7F2N3O2/c1-5-14-15-10(17-5)9(16)13-8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyDGJXXIRMXKKWKG-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.91
Rot. Bonds2

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

N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392971) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392971
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC NameN-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2c(F)cccc2F)o1
InChIInChI=1S/C10H7F2N3O2/c1-5-14-15-10(17-5)9(16)13-8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyDGJXXIRMXKKWKG-UHFFFAOYSA-N
XLogP1.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 110392971) is N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)Nc2c(F)cccc2F)o1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DGJXXIRMXKKWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c1-5-14-15-10(17-5)9(16)13-8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 239.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).