4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C17H16N4O3 — CID 67234997

IUPAC4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)no1
InChIInChI=1S/C17H16N4O3/c1-9-8-18-17(23)14-6-11-3-4-12(7-13(11)21(9)14)16(22)19-15-5-10(2)24-20-15/h3-7,9H,8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyYHOZDIUEFQOGII-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.49
Rot. Bonds2

About 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 67234997) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID67234997
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)no1
InChIInChI=1S/C17H16N4O3/c1-9-8-18-17(23)14-6-11-3-4-12(7-13(11)21(9)14)16(22)19-15-5-10(2)24-20-15/h3-7,9H,8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyYHOZDIUEFQOGII-UHFFFAOYSA-N
XLogP2.49
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 67234997) is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is Cc1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)CNC4=O)no1.
What is the InChIKey of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is YHOZDIUEFQOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-9-8-18-17(23)14-6-11-3-4-12(7-13(11)21(9)14)16(22)19-15-5-10(2)24-20-15/h3-7,9H,8H2,1-2H3,(H,18,23)(H,19,20,22).
What are the key properties of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 67234997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).