N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide

C21H15N3O3 — CID 1479475

IUPACN-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C21H15N3O3/c25-20(19-23-21(27-24-19)15-7-3-1-4-8-15)22-16-11-13-18(14-12-16)26-17-9-5-2-6-10-17/h1-14H,(H,22,25)
InChIKeySPUQPYPOORNYSQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.78
Rot. Bonds5

About N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide

N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 1479475) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID1479475
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C21H15N3O3/c25-20(19-23-21(27-24-19)15-7-3-1-4-8-15)22-16-11-13-18(14-12-16)26-17-9-5-2-6-10-17/h1-14H,(H,22,25)
InChIKeySPUQPYPOORNYSQ-UHFFFAOYSA-N
XLogP4.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide (CID 1479475) is N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1noc(-c2ccccc2)n1.
What is the InChIKey of N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SPUQPYPOORNYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(19-23-21(27-24-19)15-7-3-1-4-8-15)22-16-11-13-18(14-12-16)26-17-9-5-2-6-10-17/h1-14H,(H,22,25).
What are the key properties of N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 1479475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).