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

C24H18ClN3O3 — CID 139030825

IUPAC4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide
SMILESCOc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C24H18ClN3O3/c1-30-20-13-7-16(8-14-20)15-21(26-23(29)18-9-11-19(25)12-10-18)24-27-22(28-31-24)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,29)/b21-15-
InChIKeyPRRSMZDAUMNKQM-QNGOZBTKSA-N
MW431.88 g/mol
LogP5.33
Rot. Bonds6

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

4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide (PubChem CID 139030825) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide
PubChem CID139030825
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide
SMILESCOc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C24H18ClN3O3/c1-30-20-13-7-16(8-14-20)15-21(26-23(29)18-9-11-19(25)12-10-18)24-27-22(28-31-24)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,29)/b21-15-
InChIKeyPRRSMZDAUMNKQM-QNGOZBTKSA-N
XLogP5.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-2-(4-methylphenyl)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]benzamide
CID 139030822
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
4-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]benzamide
CID 134337628
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 7454304
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
N-[1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 1324039
4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
CID 102136458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide (CID 139030825) is 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide is COc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide?
The InChIKey is PRRSMZDAUMNKQM-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-30-20-13-7-16(8-14-20)15-21(26-23(29)18-9-11-19(25)12-10-18)24-27-22(28-31-24)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,29)/b21-15-.
What are the key properties of 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide?
4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide has a molecular weight of 431.88 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-2-(4-methoxyphenyl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]benzamide is sourced from PubChem (CID 139030825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).