2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C20H20N4O3 — CID 131912300

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C20H20N4O3/c1-13-22-23-20(27-13)14-7-8-18(26-2)17(9-14)21-19(25)12-24-10-15-5-3-4-6-16(15)11-24/h3-9H,10-12H2,1-2H3,(H,21,25)
InChIKeyWVUOIMRSJPETSL-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.01
Rot. Bonds5

About 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 131912300) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID131912300
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C20H20N4O3/c1-13-22-23-20(27-13)14-7-8-18(26-2)17(9-14)21-19(25)12-24-10-15-5-3-4-6-16(15)11-24/h3-9H,10-12H2,1-2H3,(H,21,25)
InChIKeyWVUOIMRSJPETSL-UHFFFAOYSA-N
XLogP3.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
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CID 1496876
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 20933469
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 131912300) is 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is COc1ccc(-c2nnc(C)o2)cc1NC(=O)CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is WVUOIMRSJPETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-22-23-20(27-13)14-7-8-18(26-2)17(9-14)21-19(25)12-24-10-15-5-3-4-6-16(15)11-24/h3-9H,10-12H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 131912300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).