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

C16H12FN3O2 — CID 110392497

IUPAC5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H12FN3O2/c1-10-5-2-3-8-13(10)18-14(21)16-20-19-15(22-16)11-6-4-7-12(17)9-11/h2-9H,1H3,(H,18,21)
InChIKeyJRUCKCUNDWKHBM-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.44
Rot. Bonds3

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

5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392497) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392497
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H12FN3O2/c1-10-5-2-3-8-13(10)18-14(21)16-20-19-15(22-16)11-6-4-7-12(17)9-11/h2-9H,1H3,(H,18,21)
InChIKeyJRUCKCUNDWKHBM-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
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-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392539
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392708
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392497) is 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is Cc1ccccc1NC(=O)c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JRUCKCUNDWKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-5-2-3-8-13(10)18-14(21)16-20-19-15(22-16)11-6-4-7-12(17)9-11/h2-9H,1H3,(H,18,21).
What are the key properties of 5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 3.44, 3 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-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).