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

C23H21FN4O4 — CID 75527043

IUPACN-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1
InChIInChI=1S/C23H21FN4O4/c1-3-31-20-9-5-4-7-17(20)25-21(29)14-28-12-6-8-18(28)23-26-22(27-32-23)15-10-11-19(30-2)16(24)13-15/h4-13H,3,14H2,1-2H3,(H,25,29)
InChIKeyARLRIIFJCWTFSV-UHFFFAOYSA-N
MW436.44 g/mol
LogP4.39
Rot. Bonds8

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

N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75527043) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75527043
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1
InChIInChI=1S/C23H21FN4O4/c1-3-31-20-9-5-4-7-17(20)25-21(29)14-28-12-6-8-18(28)23-26-22(27-32-23)15-10-11-19(30-2)16(24)13-15/h4-13H,3,14H2,1-2H3,(H,25,29)
InChIKeyARLRIIFJCWTFSV-UHFFFAOYSA-N
XLogP4.39
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50925942
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 50925960
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
CID 75527148
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526963
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 2989452
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 53114575
2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
CID 56770586
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75527043) is N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is CCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is ARLRIIFJCWTFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-3-31-20-9-5-4-7-17(20)25-21(29)14-28-12-6-8-18(28)23-26-22(27-32-23)15-10-11-19(30-2)16(24)13-15/h4-13H,3,14H2,1-2H3,(H,25,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 436.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).