N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide

C21H16N4O3 — CID 90462295

IUPACN-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc2oc(-c3ccc4cc5n(c4c3)CCNC5=O)nc12
InChIInChI=1S/C21H16N4O3/c1-2-18(26)23-14-4-3-5-17-19(14)24-21(28-17)13-7-6-12-10-16-20(27)22-8-9-25(16)15(12)11-13/h2-7,10-11H,1,8-9H2,(H,22,27)(H,23,26)
InChIKeyHDFPURXHMZRLDD-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.32
Rot. Bonds3

About N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide

N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide (PubChem CID 90462295) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide
PubChem CID90462295
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc2oc(-c3ccc4cc5n(c4c3)CCNC5=O)nc12
InChIInChI=1S/C21H16N4O3/c1-2-18(26)23-14-4-3-5-17-19(14)24-21(28-17)13-7-6-12-10-16-20(27)22-8-9-25(16)15(12)11-13/h2-7,10-11H,1,8-9H2,(H,22,27)(H,23,26)
InChIKeyHDFPURXHMZRLDD-UHFFFAOYSA-N
XLogP3.32
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide?
The IUPAC name of N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide (CID 90462295) is N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide?
The canonical SMILES for N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cccc2oc(-c3ccc4cc5n(c4c3)CCNC5=O)nc12.
What is the InChIKey of N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide?
The InChIKey is HDFPURXHMZRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-2-18(26)23-14-4-3-5-17-19(14)24-21(28-17)13-7-6-12-10-16-20(27)22-8-9-25(16)15(12)11-13/h2-7,10-11H,1,8-9H2,(H,22,27)(H,23,26).
What are the key properties of N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide?
N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide has a molecular weight of 372.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide is sourced from PubChem (CID 90462295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).