1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate

C12H16BrNO4 — CID 84600441

IUPAC1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1coc(Br)c1
InChIInChI=1S/C12H16BrNO4/c1-9(7-14-2-4-16-5-3-14)18-12(15)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyADAHXPZBRWGAOY-UHFFFAOYSA-N
MW318.17 g/mol
LogP1.92
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate

1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate (PubChem CID 84600441) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
PubChem CID84600441
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Name1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1coc(Br)c1
InChIInChI=1S/C12H16BrNO4/c1-9(7-14-2-4-16-5-3-14)18-12(15)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyADAHXPZBRWGAOY-UHFFFAOYSA-N
XLogP1.92
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-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

[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate (CID 84600441) is 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate is CC(CN1CCOCC1)OC(=O)c1coc(Br)c1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate?
The InChIKey is ADAHXPZBRWGAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4/c1-9(7-14-2-4-16-5-3-14)18-12(15)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate?
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate has a molecular weight of 318.17 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate is sourced from PubChem (CID 84600441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).