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

C18H16ClN3O2 — CID 6472998

IUPAC3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2noc(CNC(=O)c3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-3-6-13(7-4-11)17-21-16(24-22-17)10-20-18(23)14-8-5-12(2)15(19)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyGMFIAOLSIRRXFH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.94
Rot. Bonds4

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

3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 6472998) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID6472998
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2noc(CNC(=O)c3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-3-6-13(7-4-11)17-21-16(24-22-17)10-20-18(23)14-8-5-12(2)15(19)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyGMFIAOLSIRRXFH-UHFFFAOYSA-N
XLogP3.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 6472998) is 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c(Cl)c3)n2)cc1.
What is the InChIKey of 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is GMFIAOLSIRRXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-3-6-13(7-4-11)17-21-16(24-22-17)10-20-18(23)14-8-5-12(2)15(19)9-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 341.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 6472998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).