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

C19H19N3O4 — CID 2997012

IUPAC2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-12-4-6-13(7-5-12)18-21-17(26-22-18)11-20-19(23)15-9-8-14(24-2)10-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyBAIWYNVLJOJSHE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.99
Rot. Bonds6

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

2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 2997012) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID2997012
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-12-4-6-13(7-5-12)18-21-17(26-22-18)11-20-19(23)15-9-8-14(24-2)10-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyBAIWYNVLJOJSHE-UHFFFAOYSA-N
XLogP2.99
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673
N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267112
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894982
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8836015
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100717253
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 42797734
2-(4-methoxyphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657251
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665
[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethoxybenzoate
CID 46856715

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 2997012) is 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is BAIWYNVLJOJSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-4-6-13(7-5-12)18-21-17(26-22-18)11-20-19(23)15-9-8-14(24-2)10-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 2997012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).