3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C17H19N3O2 — CID 24983174

IUPAC3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-3-14-16(11(2)22-20-14)17(21)18-9-8-12-10-19-15-7-5-4-6-13(12)15/h4-7,10,19H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyRFUUOTDQRFPTMD-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.00
Rot. Bonds5

About 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24983174) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24983174
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-3-14-16(11(2)22-20-14)17(21)18-9-8-12-10-19-15-7-5-4-6-13(12)15/h4-7,10,19H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyRFUUOTDQRFPTMD-UHFFFAOYSA-N
XLogP3.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 24983174) is 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RFUUOTDQRFPTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-14-16(11(2)22-20-14)17(21)18-9-8-12-10-19-15-7-5-4-6-13(12)15/h4-7,10,19H,3,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24983174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).