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

C16H15N3O3 — CID 71789720

IUPAC2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
SMILESCc1cc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)on1
InChIInChI=1S/C16H15N3O3/c1-10-8-11(22-19-10)6-7-17-16(21)15(20)13-9-18-14-5-3-2-4-12(13)14/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)
InChIKeyFIQSDZGXYRUHGQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.01
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide (PubChem CID 71789720) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
PubChem CID71789720
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
SMILESCc1cc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)on1
InChIInChI=1S/C16H15N3O3/c1-10-8-11(22-19-10)6-7-17-16(21)15(20)13-9-18-14-5-3-2-4-12(13)14/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)
InChIKeyFIQSDZGXYRUHGQ-UHFFFAOYSA-N
XLogP2.01
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide (CID 71789720) is 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide is Cc1cc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)on1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide?
The InChIKey is FIQSDZGXYRUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-8-11(22-19-10)6-7-17-16(21)15(20)13-9-18-14-5-3-2-4-12(13)14/h2-5,8-9,18H,6-7H2,1H3,(H,17,21).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide has a molecular weight of 297.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 71789720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).