2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C18H15FN4O3 — CID 50981953

IUPAC2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NCc1noc(-c2ccco2)n1
InChIInChI=1S/C18H15FN4O3/c1-10-12(11-4-2-5-13(19)17(11)21-10)8-16(24)20-9-15-22-18(26-23-15)14-6-3-7-25-14/h2-7,21H,8-9H2,1H3,(H,20,24)
InChIKeyOHAOKTMJNHEOED-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.12
Rot. Bonds5

About 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 50981953) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID50981953
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NCc1noc(-c2ccco2)n1
InChIInChI=1S/C18H15FN4O3/c1-10-12(11-4-2-5-13(19)17(11)21-10)8-16(24)20-9-15-22-18(26-23-15)14-6-3-7-25-14/h2-7,21H,8-9H2,1H3,(H,20,24)
InChIKeyOHAOKTMJNHEOED-UHFFFAOYSA-N
XLogP3.12
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 50981953) is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is Cc1[nH]c2c(F)cccc2c1CC(=O)NCc1noc(-c2ccco2)n1.
What is the InChIKey of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is OHAOKTMJNHEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-10-12(11-4-2-5-13(19)17(11)21-10)8-16(24)20-9-15-22-18(26-23-15)14-6-3-7-25-14/h2-7,21H,8-9H2,1H3,(H,20,24).
What are the key properties of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 354.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 50981953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).