N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide

C20H20ClN3O4 — CID 6494839

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide
SMILESCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C20H20ClN3O4/c1-4-24(20(25)18-15(26-2)6-5-7-16(18)27-3)12-17-22-19(23-28-17)13-8-10-14(21)11-9-13/h5-11H,4,12H2,1-3H3
InChIKeyVEHUVLNMFWLJDM-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.07
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide (PubChem CID 6494839) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide
PubChem CID6494839
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide
SMILESCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C20H20ClN3O4/c1-4-24(20(25)18-15(26-2)6-5-7-16(18)27-3)12-17-22-19(23-28-17)13-8-10-14(21)11-9-13/h5-11H,4,12H2,1-3H3
InChIKeyVEHUVLNMFWLJDM-UHFFFAOYSA-N
XLogP4.07
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 6463980
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethoxybenzoate
CID 8513481
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-methylbenzamide
CID 6494655
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
2,6-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 3164377
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
5-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylbenzamide
CID 8875250
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylfuran-2-carboxamide
CID 6485239
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxybutanamide
CID 17096205
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxypropanamide
CID 8874772
(2S)-2-(3-chlorophenoxy)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8875176

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide (CID 6494839) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide is CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide?
The InChIKey is VEHUVLNMFWLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-4-24(20(25)18-15(26-2)6-5-7-16(18)27-3)12-17-22-19(23-28-17)13-8-10-14(21)11-9-13/h5-11H,4,12H2,1-3H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide has a molecular weight of 401.85 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide is sourced from PubChem (CID 6494839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).