N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide

C21H19N3O2 — CID 42589878

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1cc(-c2ccccc2)on1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c25-21(13-17-12-20(26-24-17)15-6-2-1-3-7-15)22-11-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,12,14,23H,10-11,13H2,(H,22,25)
InChIKeyHFKVKNUBNHIJIK-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42589878) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
PubChem CID42589878
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1cc(-c2ccccc2)on1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c25-21(13-17-12-20(26-24-17)15-6-2-1-3-7-15)22-11-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,12,14,23H,10-11,13H2,(H,22,25)
InChIKeyHFKVKNUBNHIJIK-UHFFFAOYSA-N
XLogP3.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (CID 42589878) is N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is O=C(Cc1cc(-c2ccccc2)on1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HFKVKNUBNHIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(13-17-12-20(26-24-17)15-6-2-1-3-7-15)22-11-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,12,14,23H,10-11,13H2,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42589878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).