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

C17H13Cl2N3O4 — CID 7244014

IUPACN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C17H13Cl2N3O4/c1-24-11-5-9(6-12(8-11)25-2)15(23)20-17-22-21-16(26-17)13-7-10(18)3-4-14(13)19/h3-8H,1-2H3,(H,20,22,23)
InChIKeyANVXXPDEMPSMQJ-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.31
Rot. Bonds5

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

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 7244014) has the molecular formula C17H13Cl2N3O4 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID7244014
Molecular FormulaC17H13Cl2N3O4
Molecular Weight394.21 g/mol
Exact Mass393.03
IUPAC NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C17H13Cl2N3O4/c1-24-11-5-9(6-12(8-11)25-2)15(23)20-17-22-21-16(26-17)13-7-10(18)3-4-14(13)19/h3-8H,1-2H3,(H,20,22,23)
InChIKeyANVXXPDEMPSMQJ-UHFFFAOYSA-N
XLogP4.31
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 7533192
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244017
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7533207
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273832
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
5-bromo-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16821719
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810023
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide (CID 7244014) is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)c1.
What is the InChIKey of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is ANVXXPDEMPSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4/c1-24-11-5-9(6-12(8-11)25-2)15(23)20-17-22-21-16(26-17)13-7-10(18)3-4-14(13)19/h3-8H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 394.21 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 7244014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).