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

C17H13FN4O3 — CID 110392549

IUPACN-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C17H13FN4O3/c1-10(23)19-13-5-7-14(8-6-13)20-15(24)17-22-21-16(25-17)11-3-2-4-12(18)9-11/h2-9H,1H3,(H,19,23)(H,20,24)
InChIKeyIYKPZNCLVYGFCV-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.09
Rot. Bonds4

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

N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392549) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392549
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C17H13FN4O3/c1-10(23)19-13-5-7-14(8-6-13)20-15(24)17-22-21-16(25-17)11-3-2-4-12(18)9-11/h2-9H,1H3,(H,19,23)(H,20,24)
InChIKeyIYKPZNCLVYGFCV-UHFFFAOYSA-N
XLogP3.09
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392539
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-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
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
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391988

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392549) is N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2nnc(-c3cccc(F)c3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IYKPZNCLVYGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c1-10(23)19-13-5-7-14(8-6-13)20-15(24)17-22-21-16(25-17)11-3-2-4-12(18)9-11/h2-9H,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).