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

C16H11Cl2N3O3 — CID 43976406

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-13-4-2-9(3-5-13)14(22)19-16-21-20-15(24-16)10-6-11(17)8-12(18)7-10/h2-8H,1H3,(H,19,21,22)
InChIKeyASOJCDMTTKFXRQ-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.30
Rot. Bonds4

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

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (PubChem CID 43976406) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
PubChem CID43976406
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-13-4-2-9(3-5-13)14(22)19-16-21-20-15(24-16)10-6-11(17)8-12(18)7-10/h2-8H,1H3,(H,19,21,22)
InChIKeyASOJCDMTTKFXRQ-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 43976473
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 3251865
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 4319364
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235618
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (CID 43976406) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is ASOJCDMTTKFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c1-23-13-4-2-9(3-5-13)14(22)19-16-21-20-15(24-16)10-6-11(17)8-12(18)7-10/h2-8H,1H3,(H,19,21,22).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 364.19 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 43976406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).