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

C17H13Cl2N3O4 — CID 43976407

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1
InChIInChI=1S/C17H13Cl2N3O4/c1-24-13-5-9(6-14(8-13)25-2)15(23)20-17-22-21-16(26-17)10-3-11(18)7-12(19)4-10/h3-8H,1-2H3,(H,20,22,23)
InChIKeyIJPPOTKVECJSOI-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.31
Rot. Bonds5

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

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 43976407) has the molecular formula C17H13Cl2N3O4 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID43976407
Molecular FormulaC17H13Cl2N3O4
Molecular Weight394.21 g/mol
Exact Mass393.03
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1
InChIInChI=1S/C17H13Cl2N3O4/c1-24-13-5-9(6-14(8-13)25-2)15(23)20-17-22-21-16(26-17)10-3-11(18)7-12(19)4-10/h3-8H,1-2H3,(H,20,22,23)
InChIKeyIJPPOTKVECJSOI-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-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7244014
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 3251865
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 43976473
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959645
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976455
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7533207
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2158980
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41147051
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide (CID 43976407) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is IJPPOTKVECJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4/c1-24-13-5-9(6-14(8-13)25-2)15(23)20-17-22-21-16(26-17)10-3-11(18)7-12(19)4-10/h3-8H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
N-[5-(3,5-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-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 43976407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).