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

C23H22N4O4 — CID 75527013

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1OC
InChIInChI=1S/C23H22N4O4/c1-29-19-12-6-10-17(21(19)30-2)14-24-20(28)15-27-13-7-11-18(27)23-25-22(26-31-23)16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyDCGZPITXLWSIHJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.54
Rot. Bonds8

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

N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (PubChem CID 75527013) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
PubChem CID75527013
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1OC
InChIInChI=1S/C23H22N4O4/c1-29-19-12-6-10-17(21(19)30-2)14-24-20(28)15-27-13-7-11-18(27)23-25-22(26-31-23)16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyDCGZPITXLWSIHJ-UHFFFAOYSA-N
XLogP3.54
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (CID 75527013) is N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The InChIKey is DCGZPITXLWSIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-29-19-12-6-10-17(21(19)30-2)14-24-20(28)15-27-13-7-11-18(27)23-25-22(26-31-23)16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).