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

C24H23FN4O4 — CID 75526982

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC
InChIInChI=1S/C24H23FN4O4/c1-31-20-10-5-16(14-21(20)32-2)11-12-26-22(30)15-29-13-3-4-19(29)24-27-23(28-33-24)17-6-8-18(25)9-7-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,30)
InChIKeyCZNPXPQTTPQBFT-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.72
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75526982) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75526982
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC
InChIInChI=1S/C24H23FN4O4/c1-31-20-10-5-16(14-21(20)32-2)11-12-26-22(30)15-29-13-3-4-19(29)24-27-23(28-33-24)17-6-8-18(25)9-7-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,30)
InChIKeyCZNPXPQTTPQBFT-UHFFFAOYSA-N
XLogP3.72
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75526982) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is COc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is CZNPXPQTTPQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-31-20-10-5-16(14-21(20)32-2)11-12-26-22(30)15-29-13-3-4-19(29)24-27-23(28-33-24)17-6-8-18(25)9-7-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 450.47 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75526982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).