benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C15H14N2O3 — CID 176887420

IUPACbenzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOc2ncccc21
InChIInChI=1S/C15H14N2O3/c18-15(20-11-12-5-2-1-3-6-12)17-9-10-19-14-13(17)7-4-8-16-14/h1-8H,9-11H2
InChIKeyRSQFYARVZGADTH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.62
Rot. Bonds2

About benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 176887420) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
PubChem CID176887420
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namebenzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOc2ncccc21
InChIInChI=1S/C15H14N2O3/c18-15(20-11-12-5-2-1-3-6-12)17-9-10-19-14-13(17)7-4-8-16-14/h1-8H,9-11H2
InChIKeyRSQFYARVZGADTH-UHFFFAOYSA-N
XLogP2.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 8-iodo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 133060080
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 166223828
benzyl 7-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 133060509
benzyl 6-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 86287947
benzyl 8-bromo-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 69056945
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 170624508
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 18638958

Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The IUPAC name of benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 176887420) is benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.
What is the SMILES notation for benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The canonical SMILES for benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is O=C(OCc1ccccc1)N1CCOc2ncccc21.
What is the InChIKey of benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The InChIKey is RSQFYARVZGADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(20-11-12-5-2-1-3-6-12)17-9-10-19-14-13(17)7-4-8-16-14/h1-8H,9-11H2.
What are the key properties of benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 176887420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).