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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Related Compounds

N-[3-chloro-4-[4-[2-(methylamino)ethyl]piperazine-1-carbonyl]phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 165176947
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2-phenylethyl)acetamide
CID 75527040
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2-methylphenyl)acetamide
CID 75527074
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2-fluorophenyl)acetamide
CID 75527110
[6-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 168282887
2-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2-methoxyphenyl)acetamide
CID 49808543
N-(4-ethoxyphenyl)-2-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
CID 49808550
N-(4-chloro-2-methoxy-5-methylphenyl)-2-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
CID 75527034
N-cyclohexyl-2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
CID 75527036
N-(Butan-2-YL)-2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-YL]-1H-pyrrol-1-YL}acetamide
CID 75527052
N-(2,4-dimethylphenyl)-2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
CID 75527107
N-(2-chloro-4-methylphenyl)-2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
CID 75527108

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).