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

C21H15FN4O2 — CID 59464134

IUPAC5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26)
InChIKeyULHJJYRIVGIWEO-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.87
Rot. Bonds5

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

5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 59464134) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID59464134
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26)
InChIKeyULHJJYRIVGIWEO-UHFFFAOYSA-N
XLogP4.87
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 59464134) is 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ULHJJYRIVGIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26).
What are the key properties of 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 59464134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).