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

C20H21N3O4 — CID 43974265

IUPACN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1
InChIInChI=1S/C20H21N3O4/c1-12-5-6-14(7-13(12)2)8-18-22-23-20(27-18)21-19(24)15-9-16(25-3)11-17(10-15)26-4/h5-7,9-11H,8H2,1-4H3,(H,21,23,24)
InChIKeyDLVUQDBVNFUSTG-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.55
Rot. Bonds6

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

N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 43974265) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID43974265
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1
InChIInChI=1S/C20H21N3O4/c1-12-5-6-14(7-13(12)2)8-18-22-23-20(27-18)21-19(24)15-9-16(25-3)11-17(10-15)26-4/h5-7,9-11H,8H2,1-4H3,(H,21,23,24)
InChIKeyDLVUQDBVNFUSTG-UHFFFAOYSA-N
XLogP3.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43974321
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 43974430
5-bromo-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43974245
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43974396
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974330
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 43974208
5-bromo-2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974453
4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974342
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 16917902
2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 43974470
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16917888
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 43974462

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide (CID 43974265) is N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1.
What is the InChIKey of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is DLVUQDBVNFUSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-5-6-14(7-13(12)2)8-18-22-23-20(27-18)21-19(24)15-9-16(25-3)11-17(10-15)26-4/h5-7,9-11H,8H2,1-4H3,(H,21,23,24).
What are the key properties of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide?
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 367.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 43974265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).