3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide

C22H17N3O3 — CID 71881498

IUPAC3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(Cn2c(-c3ccccc3)noc2=O)c1
InChIInChI=1S/C22H17N3O3/c26-21(23-19-12-5-2-6-13-19)18-11-7-8-16(14-18)15-25-20(24-28-22(25)27)17-9-3-1-4-10-17/h1-14H,15H2,(H,23,26)
InChIKeyRZLBONKOCUCPCB-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.80
Rot. Bonds5

About 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide

3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide (PubChem CID 71881498) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide
PubChem CID71881498
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(Cn2c(-c3ccccc3)noc2=O)c1
InChIInChI=1S/C22H17N3O3/c26-21(23-19-12-5-2-6-13-19)18-11-7-8-16(14-18)15-25-20(24-28-22(25)27)17-9-3-1-4-10-17/h1-14H,15H2,(H,23,26)
InChIKeyRZLBONKOCUCPCB-UHFFFAOYSA-N
XLogP3.80
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
CID 48730150
N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 111127241
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide (CID 71881498) is 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(Cn2c(-c3ccccc3)noc2=O)c1.
What is the InChIKey of 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide?
The InChIKey is RZLBONKOCUCPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21(23-19-12-5-2-6-13-19)18-11-7-8-16(14-18)15-25-20(24-28-22(25)27)17-9-3-1-4-10-17/h1-14H,15H2,(H,23,26).
What are the key properties of 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide?
3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide has a molecular weight of 371.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 71881498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).