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

C17H14FN3O2 — CID 110392324

IUPACN-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C17H14FN3O2/c1-2-11-7-9-12(10-8-11)19-15(22)17-21-20-16(23-17)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyJQNHZFAYLQBFIS-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.69
Rot. Bonds4

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

N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392324) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392324
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C17H14FN3O2/c1-2-11-7-9-12(10-8-11)19-15(22)17-21-20-16(23-17)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyJQNHZFAYLQBFIS-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392375
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392339
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391791
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392260
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334212
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392233

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392324) is N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is CCc1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JQNHZFAYLQBFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-11-7-9-12(10-8-11)19-15(22)17-21-20-16(23-17)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).