N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide

C17H14ClN3O4 — CID 5185834

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H14ClN3O4/c1-23-12-4-3-5-13(24-2)14(12)15(22)19-17-21-20-16(25-17)10-6-8-11(18)9-7-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyQGYCKIOQKTVLRB-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.66
Rot. Bonds5

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide (PubChem CID 5185834) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
PubChem CID5185834
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H14ClN3O4/c1-23-12-4-3-5-13(24-2)14(12)15(22)19-17-21-20-16(25-17)10-6-8-11(18)9-7-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyQGYCKIOQKTVLRB-UHFFFAOYSA-N
XLogP3.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 7533192
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977382
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
2,3-dimethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578119
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 16854474
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 142734015
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16879880

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide (CID 5185834) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide?
The InChIKey is QGYCKIOQKTVLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-23-12-4-3-5-13(24-2)14(12)15(22)19-17-21-20-16(25-17)10-6-8-11(18)9-7-10/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide has a molecular weight of 359.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 5185834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).