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

C18H16ClN3O4 — CID 53049042

IUPACN-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2noc(-c3cccc(Cl)c3)n2)c(OC)c1
InChIInChI=1S/C18H16ClN3O4/c1-24-13-6-7-14(15(9-13)25-2)17(23)20-10-16-21-18(26-22-16)11-4-3-5-12(19)8-11/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyFBFCOPIRHKWQGO-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.34
Rot. Bonds6

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

N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide (PubChem CID 53049042) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
PubChem CID53049042
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2noc(-c3cccc(Cl)c3)n2)c(OC)c1
InChIInChI=1S/C18H16ClN3O4/c1-24-13-6-7-14(15(9-13)25-2)17(23)20-10-16-21-18(26-22-16)11-4-3-5-12(19)8-11/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyFBFCOPIRHKWQGO-UHFFFAOYSA-N
XLogP3.34
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755960
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049021
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95062327
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155535519
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53049081
(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 95062335
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867492
(5R)-5-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95166870
(5S)-5-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95166869

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide (CID 53049042) is N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2noc(-c3cccc(Cl)c3)n2)c(OC)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is FBFCOPIRHKWQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-24-13-6-7-14(15(9-13)25-2)17(23)20-10-16-21-18(26-22-16)11-4-3-5-12(19)8-11/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide?
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 373.80 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 53049042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).