[2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate

C25H21N3O3 — CID 14650651

IUPAC[2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1COC(c2cc3ccccc3[nH]2)=NC1c1ccccc1
InChIInChI=1S/C25H21N3O3/c29-25(26-19-12-5-2-6-13-19)31-22-16-30-24(28-23(22)17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)27-21/h1-15,22-23,27H,16H2,(H,26,29)
InChIKeyDCOSHPQCZFZJGV-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.30
Rot. Bonds4

About [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate

[2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate (PubChem CID 14650651) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate
PubChem CID14650651
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name[2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1COC(c2cc3ccccc3[nH]2)=NC1c1ccccc1
InChIInChI=1S/C25H21N3O3/c29-25(26-19-12-5-2-6-13-19)31-22-16-30-24(28-23(22)17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)27-21/h1-15,22-23,27H,16H2,(H,26,29)
InChIKeyDCOSHPQCZFZJGV-UHFFFAOYSA-N
XLogP5.30
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate 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 [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate?
The IUPAC name of [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate (CID 14650651) is [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate.
What is the SMILES notation for [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate?
The canonical SMILES for [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate is O=C(Nc1ccccc1)OC1COC(c2cc3ccccc3[nH]2)=NC1c1ccccc1.
What is the InChIKey of [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate?
The InChIKey is DCOSHPQCZFZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-25(26-19-12-5-2-6-13-19)31-22-16-30-24(28-23(22)17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)27-21/h1-15,22-23,27H,16H2,(H,26,29).
What are the key properties of [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate?
[2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate has a molecular weight of 411.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-2-yl)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl] N-phenylcarbamate is sourced from PubChem (CID 14650651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).