N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C19H19N3O5 — CID 110391702

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnc(-c3ccccc3OC)o2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-24-14-7-5-4-6-13(14)18-21-22-19(27-18)17(23)20-11-12-8-9-15(25-2)16(10-12)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyLHXDSHGJNAGKCJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.69
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391702) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391702
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnc(-c3ccccc3OC)o2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-24-14-7-5-4-6-13(14)18-21-22-19(27-18)17(23)20-11-12-8-9-15(25-2)16(10-12)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyLHXDSHGJNAGKCJ-UHFFFAOYSA-N
XLogP2.69
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081278

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391702) is N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(CNC(=O)c2nnc(-c3ccccc3OC)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LHXDSHGJNAGKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-24-14-7-5-4-6-13(14)18-21-22-19(27-18)17(23)20-11-12-8-9-15(25-2)16(10-12)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).