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

C19H18FN3O2 — CID 110392331

IUPACN-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C19H18FN3O2/c1-19(2,3)12-8-10-13(11-9-12)21-16(24)18-23-22-17(25-18)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H,21,24)
InChIKeyKMGQBTAZHUGAKQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.43
Rot. Bonds3

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

N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392331) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392331
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C19H18FN3O2/c1-19(2,3)12-8-10-13(11-9-12)21-16(24)18-23-22-17(25-18)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H,21,24)
InChIKeyKMGQBTAZHUGAKQ-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392331) is N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KMGQBTAZHUGAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-19(2,3)12-8-10-13(11-9-12)21-16(24)18-23-22-17(25-18)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).