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

C17H19N3O2 — CID 24792447

IUPAC3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-10-13(14-6-4-5-7-15(14)19-10)8-9-18-17(21)16-11(2)20-22-12(16)3/h4-7,19H,8-9H2,1-3H3,(H,18,21)
InChIKeyDIQLUTYFOIGOQX-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.05
Rot. Bonds4

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

3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 24792447) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID24792447
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-10-13(14-6-4-5-7-15(14)19-10)8-9-18-17(21)16-11(2)20-22-12(16)3/h4-7,19H,8-9H2,1-3H3,(H,18,21)
InChIKeyDIQLUTYFOIGOQX-UHFFFAOYSA-N
XLogP3.05
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 24792447) is 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DIQLUTYFOIGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-13(14-6-4-5-7-15(14)19-10)8-9-18-17(21)16-11(2)20-22-12(16)3/h4-7,19H,8-9H2,1-3H3,(H,18,21).
What are the key properties of 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24792447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).