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

C18H16FN3O2 — CID 110392328

IUPAC5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C18H16FN3O2/c1-11(2)12-7-9-13(10-8-12)20-16(23)18-22-21-17(24-18)14-5-3-4-6-15(14)19/h3-11H,1-2H3,(H,20,23)
InChIKeyMAHNJUCCPNJYMO-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.25
Rot. Bonds4

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

5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392328) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392328
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C18H16FN3O2/c1-11(2)12-7-9-13(10-8-12)20-16(23)18-22-21-17(24-18)14-5-3-4-6-15(14)19/h3-11H,1-2H3,(H,20,23)
InChIKeyMAHNJUCCPNJYMO-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392328) is 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is CC(C)c1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MAHNJUCCPNJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11(2)12-7-9-13(10-8-12)20-16(23)18-22-21-17(24-18)14-5-3-4-6-15(14)19/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).