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

C21H19FN4O2 — CID 53027972

IUPAC2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1nnc(-c2cn(CC(=O)NCc3ccccc3F)c3ccccc23)o1
InChIInChI=1S/C21H19FN4O2/c1-2-20-24-25-21(28-20)16-12-26(18-10-6-4-8-15(16)18)13-19(27)23-11-14-7-3-5-9-17(14)22/h3-10,12H,2,11,13H2,1H3,(H,23,27)
InChIKeySWBHPNUUDVEOMS-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.71
Rot. Bonds6

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

2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 53027972) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID53027972
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1nnc(-c2cn(CC(=O)NCc3ccccc3F)c3ccccc23)o1
InChIInChI=1S/C21H19FN4O2/c1-2-20-24-25-21(28-20)16-12-26(18-10-6-4-8-15(16)18)13-19(27)23-11-14-7-3-5-9-17(14)22/h3-10,12H,2,11,13H2,1H3,(H,23,27)
InChIKeySWBHPNUUDVEOMS-UHFFFAOYSA-N
XLogP3.71
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53027936
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091
N-cyclopropyl-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53027959
N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53006638
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 53071585
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 50827539
N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385218
N-[(4-methylphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385224
N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53028024
N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114528
2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-phenylacetamide
CID 42111225

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 53027972) is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is CCc1nnc(-c2cn(CC(=O)NCc3ccccc3F)c3ccccc23)o1.
What is the InChIKey of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is SWBHPNUUDVEOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-2-20-24-25-21(28-20)16-12-26(18-10-6-4-8-15(16)18)13-19(27)23-11-14-7-3-5-9-17(14)22/h3-10,12H,2,11,13H2,1H3,(H,23,27).
What are the key properties of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 378.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53027972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).