2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone

C20H18N2O3 — CID 136512937

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)N1CCOc2ccncc21
InChIInChI=1S/C20H18N2O3/c23-20(22-6-7-24-18-4-5-21-11-17(18)22)10-15-12-25-19-9-14-3-1-2-13(14)8-16(15)19/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyAPYNVTTURGFPBJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.28
Rot. Bonds2

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone (PubChem CID 136512937) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
PubChem CID136512937
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)N1CCOc2ccncc21
InChIInChI=1S/C20H18N2O3/c23-20(22-6-7-24-18-4-5-21-11-17(18)22)10-15-12-25-19-9-14-3-1-2-13(14)8-16(15)19/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyAPYNVTTURGFPBJ-UHFFFAOYSA-N
XLogP3.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone 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

2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 126771622
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 29291454
4-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006770
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 55338053
N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78771248
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119410925
2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
CID 172805851
1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119379053
1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727611

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone (CID 136512937) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone is O=C(Cc1coc2cc3c(cc12)CCC3)N1CCOc2ccncc21.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
The InChIKey is APYNVTTURGFPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-20(22-6-7-24-18-4-5-21-11-17(18)22)10-15-12-25-19-9-14-3-1-2-13(14)8-16(15)19/h4-5,8-9,11-12H,1-3,6-7,10H2.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone has a molecular weight of 334.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone is sourced from PubChem (CID 136512937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).