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

C15H9ClFN3O2 — CID 110392521

IUPACN-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H9ClFN3O2/c16-10-4-2-6-12(8-10)18-13(21)15-20-19-14(22-15)9-3-1-5-11(17)7-9/h1-8H,(H,18,21)
InChIKeyUQXURHNMZGCSIF-UHFFFAOYSA-N
MW317.71 g/mol
LogP3.78
Rot. Bonds3

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

N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392521) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392521
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC NameN-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H9ClFN3O2/c16-10-4-2-6-12(8-10)18-13(21)15-20-19-14(22-15)9-3-1-5-11(17)7-9/h1-8H,(H,18,21)
InChIKeyUQXURHNMZGCSIF-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 53.78
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
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392539
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110391475
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
5-(2-fluorophenyl)-N-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392375
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392521) is N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UQXURHNMZGCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-10-4-2-6-12(8-10)18-13(21)15-20-19-14(22-15)9-3-1-5-11(17)7-9/h1-8H,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 317.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).