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

C24H23FN4O5 — CID 75527093

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(OC)c(OC)c3)n2)cc1F
InChIInChI=1S/C24H23FN4O5/c1-31-19-9-7-16(12-17(19)25)23-27-24(34-28-23)18-5-4-10-29(18)14-22(30)26-13-15-6-8-20(32-2)21(11-15)33-3/h4-12H,13-14H2,1-3H3,(H,26,30)
InChIKeyDXGROEZQJQJOIW-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.69
Rot. Bonds9

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

N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75527093) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75527093
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(OC)c(OC)c3)n2)cc1F
InChIInChI=1S/C24H23FN4O5/c1-31-19-9-7-16(12-17(19)25)23-27-24(34-28-23)18-5-4-10-29(18)14-22(30)26-13-15-6-8-20(32-2)21(11-15)33-3/h4-12H,13-14H2,1-3H3,(H,26,30)
InChIKeyDXGROEZQJQJOIW-UHFFFAOYSA-N
XLogP3.69
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75527093) is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(OC)c(OC)c3)n2)cc1F.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is DXGROEZQJQJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c1-31-19-9-7-16(12-17(19)25)23-27-24(34-28-23)18-5-4-10-29(18)14-22(30)26-13-15-6-8-20(32-2)21(11-15)33-3/h4-12H,13-14H2,1-3H3,(H,26,30).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 466.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).