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

C21H16ClFN4O3 — CID 75527106

IUPACN-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3)n2)cc1F
InChIInChI=1S/C21H16ClFN4O3/c1-29-18-8-7-13(10-16(18)23)20-25-21(30-26-20)17-6-3-9-27(17)12-19(28)24-15-5-2-4-14(22)11-15/h2-11H,12H2,1H3,(H,24,28)
InChIKeyAIGGEIXAKJTTNR-UHFFFAOYSA-N
MW426.84 g/mol
LogP4.64
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75527106) has the molecular formula C21H16ClFN4O3 and a molecular weight of 426.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75527106
Molecular FormulaC21H16ClFN4O3
Molecular Weight426.84 g/mol
Exact Mass426.09
IUPAC NameN-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3)n2)cc1F
InChIInChI=1S/C21H16ClFN4O3/c1-29-18-8-7-13(10-16(18)23)20-25-21(30-26-20)17-6-3-9-27(17)12-19(28)24-15-5-2-4-14(22)11-15/h2-11H,12H2,1H3,(H,24,28)
InChIKeyAIGGEIXAKJTTNR-UHFFFAOYSA-N
XLogP4.64
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75527106) is N-(3-chlorophenyl)-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-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3)n2)cc1F.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is AIGGEIXAKJTTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O3/c1-29-18-8-7-13(10-16(18)23)20-25-21(30-26-20)17-6-3-9-27(17)12-19(28)24-15-5-2-4-14(22)11-15/h2-11H,12H2,1H3,(H,24,28).
What are the key properties of N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 426.84 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).