methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate

C17H20BrNO4 — CID 11315052

IUPACmethyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(c2ccc(Br)cc2)(N2CCOCC2)C1
InChIInChI=1S/C17H20BrNO4/c1-12-15(16(20)21-2)11-17(23-12,19-7-9-22-10-8-19)13-3-5-14(18)6-4-13/h3-6H,7-11H2,1-2H3
InChIKeyKHYPQRDOXDIOKS-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate

methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate (PubChem CID 11315052) has the molecular formula C17H20BrNO4 and a molecular weight of 382.25 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate
PubChem CID11315052
Molecular FormulaC17H20BrNO4
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Namemethyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(c2ccc(Br)cc2)(N2CCOCC2)C1
InChIInChI=1S/C17H20BrNO4/c1-12-15(16(20)21-2)11-17(23-12,19-7-9-22-10-8-19)13-3-5-14(18)6-4-13/h3-6H,7-11H2,1-2H3
InChIKeyKHYPQRDOXDIOKS-UHFFFAOYSA-N
XLogP2.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-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

methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
methyl (2R)-2-(4-bromophenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364680
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
dimethyl 4-(4-bromophenyl)-4-(trifluoromethyl)oxete-2,3-dicarboxylate
CID 102107633
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 5456303
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate (CID 11315052) is methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate is COC(=O)C1=C(C)OC(c2ccc(Br)cc2)(N2CCOCC2)C1.
What is the InChIKey of methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate?
The InChIKey is KHYPQRDOXDIOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4/c1-12-15(16(20)21-2)11-17(23-12,19-7-9-22-10-8-19)13-3-5-14(18)6-4-13/h3-6H,7-11H2,1-2H3.
What are the key properties of methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate?
methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate has a molecular weight of 382.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-5-methyl-2-morpholin-4-yl-3H-furan-4-carboxylate is sourced from PubChem (CID 11315052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).