N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide

C20H21N3O5 — CID 16854290

IUPACN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)Cc3ccc(OC)c(C)c3)o2)c1
InChIInChI=1S/C20H21N3O5/c1-12-9-13(5-7-16(12)26-3)10-18(24)21-20-23-22-19(28-20)15-11-14(25-2)6-8-17(15)27-4/h5-9,11H,10H2,1-4H3,(H,21,23,24)
InChIKeyKIIYYSDGSLOSON-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.25
Rot. Bonds7

About N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide

N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 16854290) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID16854290
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)Cc3ccc(OC)c(C)c3)o2)c1
InChIInChI=1S/C20H21N3O5/c1-12-9-13(5-7-16(12)26-3)10-18(24)21-20-23-22-19(28-20)15-11-14(25-2)6-8-17(15)27-4/h5-9,11H,10H2,1-4H3,(H,21,23,24)
InChIKeyKIIYYSDGSLOSON-UHFFFAOYSA-N
XLogP3.25
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
2-(4-methoxy-3-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854865
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 43974430
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 16854243
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16854216
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16854218
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110507
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
CID 43973061
S-[2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxoethyl] ethanethioate
CID 16949205
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 43976334

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide (CID 16854290) is N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(OC)c(-c2nnc(NC(=O)Cc3ccc(OC)c(C)c3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is KIIYYSDGSLOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-9-13(5-7-16(12)26-3)10-18(24)21-20-23-22-19(28-20)15-11-14(25-2)6-8-17(15)27-4/h5-9,11H,10H2,1-4H3,(H,21,23,24).
What are the key properties of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide?
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 16854290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).