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

C19H19FN4O2 — CID 68685264

IUPACN-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
InChIInChI=1S/C19H19FN4O2/c1-2-3-6-13-9-11-14(12-10-13)21-17(25)18-23-24-19(26-18)22-16-8-5-4-7-15(16)20/h4-5,7-12H,2-3,6H2,1H3,(H,21,25)(H,22,24)
InChIKeyULADDUDXUUVSTN-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.55
Rot. Bonds7

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

N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68685264) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
PubChem CID68685264
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
InChIInChI=1S/C19H19FN4O2/c1-2-3-6-13-9-11-14(12-10-13)21-17(25)18-23-24-19(26-18)22-16-8-5-4-7-15(16)20/h4-5,7-12H,2-3,6H2,1H3,(H,21,25)(H,22,24)
InChIKeyULADDUDXUUVSTN-UHFFFAOYSA-N
XLogP4.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide (CID 68685264) is N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide is CCCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ULADDUDXUUVSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-2-3-6-13-9-11-14(12-10-13)21-17(25)18-23-24-19(26-18)22-16-8-5-4-7-15(16)20/h4-5,7-12H,2-3,6H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68685264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).