4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

C23H20N4O3 — CID 53247557

IUPAC4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(-c5ccccc5)no4)cc3n21
InChIInChI=1S/C23H20N4O3/c1-23(2)13-24-22(29)19-10-15-8-9-16(11-18(15)27(19)23)21(28)25-20-12-17(26-30-20)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyLEZHPBJZDSCULQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.03
Rot. Bonds3

About 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (PubChem CID 53247557) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
PubChem CID53247557
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(-c5ccccc5)no4)cc3n21
InChIInChI=1S/C23H20N4O3/c1-23(2)13-24-22(29)19-10-15-8-9-16(11-18(15)27(19)23)21(28)25-20-12-17(26-30-20)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyLEZHPBJZDSCULQ-UHFFFAOYSA-N
XLogP4.03
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (CID 53247557) is 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(-c5ccccc5)no4)cc3n21.
What is the InChIKey of 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is LEZHPBJZDSCULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-23(2)13-24-22(29)19-10-15-8-9-16(11-18(15)27(19)23)21(28)25-20-12-17(26-30-20)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 53247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).