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

C22H17N3O2 — CID 50747772

IUPAC2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C22H17N3O2/c1-15-7-5-6-10-19(15)21(26)23-18-13-11-17(12-14-18)22-24-20(25-27-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,26)
InChIKeyLGOBEKPNSFOSDB-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.96
Rot. Bonds4

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

2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 50747772) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID50747772
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C22H17N3O2/c1-15-7-5-6-10-19(15)21(26)23-18-13-11-17(12-14-18)22-24-20(25-27-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,26)
InChIKeyLGOBEKPNSFOSDB-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 50747772) is 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is LGOBEKPNSFOSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-7-5-6-10-19(15)21(26)23-18-13-11-17(12-14-18)22-24-20(25-27-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 355.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 50747772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).