N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide

C25H21N3O2 — CID 139030822

IUPACN-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-8-12-19(13-9-17)16-22(26-24(29)21-6-4-3-5-7-21)25-27-23(28-30-25)20-14-10-18(2)11-15-20/h3-16H,1-2H3,(H,26,29)/b22-16-
InChIKeyJWPIEIBVZHBBBG-JWGURIENSA-N
MW395.46 g/mol
LogP5.28
Rot. Bonds5

About N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide

N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide (PubChem CID 139030822) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide
PubChem CID139030822
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-8-12-19(13-9-17)16-22(26-24(29)21-6-4-3-5-7-21)25-27-23(28-30-25)20-14-10-18(2)11-15-20/h3-16H,1-2H3,(H,26,29)/b22-16-
InChIKeyJWPIEIBVZHBBBG-JWGURIENSA-N
XLogP5.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide
CID 139030825
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
4-methyl-N-[2-phenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
CID 2874743
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
N-(2-aminoethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 19576133
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
N-[2-[(2-bromobenzoyl)amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083511
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
(E)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(4-methylsulfanylphenyl)prop-2-enenitrile
CID 8831623
N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 7463615

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide?
The IUPAC name of N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide (CID 139030822) is N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide.
What is the SMILES notation for N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide?
The canonical SMILES for N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide is Cc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide?
The InChIKey is JWPIEIBVZHBBBG-JWGURIENSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-8-12-19(13-9-17)16-22(26-24(29)21-6-4-3-5-7-21)25-27-23(28-30-25)20-14-10-18(2)11-15-20/h3-16H,1-2H3,(H,26,29)/b22-16-.
What are the key properties of N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide?
N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide is sourced from PubChem (CID 139030822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).