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

C22H17FN4O3 — CID 68683393

IUPAC5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C22H17FN4O3/c23-18-8-4-5-9-19(18)25-22-27-26-21(30-22)20(28)24-16-10-12-17(13-11-16)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,28)(H,25,27)
InChIKeyOZSSVUNJHDIPKP-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.78
Rot. Bonds7

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

5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68683393) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID68683393
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C22H17FN4O3/c23-18-8-4-5-9-19(18)25-22-27-26-21(30-22)20(28)24-16-10-12-17(13-11-16)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,28)(H,25,27)
InChIKeyOZSSVUNJHDIPKP-UHFFFAOYSA-N
XLogP4.78
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 68683393) is 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OZSSVUNJHDIPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-18-8-4-5-9-19(18)25-22-27-26-21(30-22)20(28)24-16-10-12-17(13-11-16)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,28)(H,25,27).
What are the key properties of 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68683393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).