5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide

C16H16N4O3 — CID 91624689

IUPAC5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3C(=O)Nc4ccccc4N3C2)no1
InChIInChI=1S/C16H16N4O3/c1-9-6-12(19-23-9)15(21)17-10-7-14-16(22)18-11-4-2-3-5-13(11)20(14)8-10/h2-6,10,14H,7-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyNEHRVNPXJIUVJJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.31
Rot. Bonds2

About 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 91624689) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID91624689
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3C(=O)Nc4ccccc4N3C2)no1
InChIInChI=1S/C16H16N4O3/c1-9-6-12(19-23-9)15(21)17-10-7-14-16(22)18-11-4-2-3-5-13(11)20(14)8-10/h2-6,10,14H,7-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyNEHRVNPXJIUVJJ-UHFFFAOYSA-N
XLogP1.31
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide (CID 91624689) is 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CC3C(=O)Nc4ccccc4N3C2)no1.
What is the InChIKey of 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is NEHRVNPXJIUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9-6-12(19-23-9)15(21)17-10-7-14-16(22)18-11-4-2-3-5-13(11)20(14)8-10/h2-6,10,14H,7-8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91624689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).