3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C18H15Cl2N3O3 — CID 110319582

IUPAC3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H15Cl2N3O3/c1-10-3-5-11(6-4-10)18-23-22-14(26-18)9-21-17(24)15-12(19)7-8-13(20)16(15)25-2/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyOTKNFTKKBPJZPF-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.29
Rot. Bonds5

About 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110319582) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110319582
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H15Cl2N3O3/c1-10-3-5-11(6-4-10)18-23-22-14(26-18)9-21-17(24)15-12(19)7-8-13(20)16(15)25-2/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyOTKNFTKKBPJZPF-UHFFFAOYSA-N
XLogP4.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320138
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzamide
CID 110319111
3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318833
3,6-dichloro-2-methoxy-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]benzamide
CID 110401107
2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
3,6-dichloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110443051

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110319582) is 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is OTKNFTKKBPJZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-10-3-5-11(6-4-10)18-23-22-14(26-18)9-21-17(24)15-12(19)7-8-13(20)16(15)25-2/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 392.24 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110319582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).