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

C24H20ClN3O3 — CID 100750231

IUPAC3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccccc1-c1noc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)n1
InChIInChI=1S/C24H20ClN3O3/c1-16-7-2-4-11-20(16)23-27-22(31-28-23)14-26-24(29)17-9-6-10-19(13-17)30-15-18-8-3-5-12-21(18)25/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyNWGNSOQFBLBFRI-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.21
Rot. Bonds7

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

3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 100750231) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID100750231
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccccc1-c1noc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)n1
InChIInChI=1S/C24H20ClN3O3/c1-16-7-2-4-11-20(16)23-27-22(31-28-23)14-26-24(29)17-9-6-10-19(13-17)30-15-18-8-3-5-12-21(18)25/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyNWGNSOQFBLBFRI-UHFFFAOYSA-N
XLogP5.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9354144
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86832339

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 100750231) is 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1ccccc1-c1noc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)n1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is NWGNSOQFBLBFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-16-7-2-4-11-20(16)23-27-22(31-28-23)14-26-24(29)17-9-6-10-19(13-17)30-15-18-8-3-5-12-21(18)25/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 100750231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).