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

C23H17N3O4 — CID 48730150

IUPACN-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17N3O4/c27-20(15-26-21(25-30-23(26)29)17-7-3-1-4-8-17)16-11-13-19(14-12-16)24-22(28)18-9-5-2-6-10-18/h1-14H,15H2,(H,24,28)
InChIKeyRSGMNBAHLMXTCJ-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.64
Rot. Bonds6

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

N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide (PubChem CID 48730150) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
PubChem CID48730150
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC NameN-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17N3O4/c27-20(15-26-21(25-30-23(26)29)17-7-3-1-4-8-17)16-11-13-19(14-12-16)24-22(28)18-9-5-2-6-10-18/h1-14H,15H2,(H,24,28)
InChIKeyRSGMNBAHLMXTCJ-UHFFFAOYSA-N
XLogP3.64
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide
CID 71881498
N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
(4-benzamidophenyl)carbamic acid
CID 18543096
4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 111127241
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 48729981
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide
CID 145361634
N-[1-(furan-2-yl)ethyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 71935095
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide (CID 48730150) is N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide is O=C(Cn1c(-c2ccccc2)noc1=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide?
The InChIKey is RSGMNBAHLMXTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-20(15-26-21(25-30-23(26)29)17-7-3-1-4-8-17)16-11-13-19(14-12-16)24-22(28)18-9-5-2-6-10-18/h1-14H,15H2,(H,24,28).
What are the key properties of N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide?
N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide has a molecular weight of 399.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide is sourced from PubChem (CID 48730150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).