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

C24H20ClN3O2 — CID 73050839

IUPAC3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCCc1ccc(C(NC(=O)c2cccc(Cl)c2)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-2-16-11-13-17(14-12-16)21(26-23(29)19-9-6-10-20(25)15-19)24-27-22(28-30-24)18-7-4-3-5-8-18/h3-15,21H,2H2,1H3,(H,26,29)
InChIKeyVJNVHPHKIGTGDB-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.47
Rot. Bonds6

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

3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 73050839) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID73050839
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCCc1ccc(C(NC(=O)c2cccc(Cl)c2)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-2-16-11-13-17(14-12-16)21(26-23(29)19-9-6-10-20(25)15-19)24-27-22(28-30-24)18-7-4-3-5-8-18/h3-15,21H,2H2,1H3,(H,26,29)
InChIKeyVJNVHPHKIGTGDB-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 73050839) is 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is CCc1ccc(C(NC(=O)c2cccc(Cl)c2)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is VJNVHPHKIGTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-2-16-11-13-17(14-12-16)21(26-23(29)19-9-6-10-20(25)15-19)24-27-22(28-30-24)18-7-4-3-5-8-18/h3-15,21H,2H2,1H3,(H,26,29).
What are the key properties of 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 417.90 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 73050839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).