2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide

C22H17N3O3 — CID 3730602

IUPAC2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
SMILESCOc1cccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C22H17N3O3/c1-27-17-11-7-8-15(14-17)20-24-22(28-25-20)19-13-6-5-12-18(19)21(26)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)
InChIKeyHDOCJSOTJCRQJZ-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.66
Rot. Bonds5

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

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide (PubChem CID 3730602) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
PubChem CID3730602
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
SMILESCOc1cccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C22H17N3O3/c1-27-17-11-7-8-15(14-17)20-24-22(28-25-20)19-13-6-5-12-18(19)21(26)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)
InChIKeyHDOCJSOTJCRQJZ-UHFFFAOYSA-N
XLogP4.66
TPSA77.25 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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46288577
N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 2013125
4-methoxy-N,2-diphenylbenzamide
CID 156739257
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2231217
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide (CID 3730602) is 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide is COc1cccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
The InChIKey is HDOCJSOTJCRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-27-17-11-7-8-15(14-17)20-24-22(28-25-20)19-13-6-5-12-18(19)21(26)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26).
What are the key properties of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide has a molecular weight of 371.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide is sourced from PubChem (CID 3730602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).