1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine

C23H31N5O4 — CID 110052112

IUPAC1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
SMILESO=C1OCCN1c1ccc(C/N=C(/NCCc2ccco2)NCCN2CCOCC2)cc1
InChIInChI=1S/C23H31N5O4/c29-23-28(13-17-32-23)20-5-3-19(4-6-20)18-26-22(24-8-7-21-2-1-14-31-21)25-9-10-27-11-15-30-16-12-27/h1-6,14H,7-13,15-18H2,(H2,24,25,26)
InChIKeyKKZNIXIFDUXJOM-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.85
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine

1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine (PubChem CID 110052112) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
PubChem CID110052112
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
SMILESO=C1OCCN1c1ccc(C/N=C(/NCCc2ccco2)NCCN2CCOCC2)cc1
InChIInChI=1S/C23H31N5O4/c29-23-28(13-17-32-23)20-5-3-19(4-6-20)18-26-22(24-8-7-21-2-1-14-31-21)25-9-10-27-11-15-30-16-12-27/h1-6,14H,7-13,15-18H2,(H2,24,25,26)
InChIKeyKKZNIXIFDUXJOM-UHFFFAOYSA-N
XLogP1.85
TPSA91.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine 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

1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111777429
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187993
2-[(4-bromophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111753600
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
CID 110051410
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
CID 110052482
1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine;hydroiodide
CID 110053151
2-[(4-bromophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111547815
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111777239
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111188204
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110938477
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111355002
2-(1,3-benzodioxol-5-ylmethyl)-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111353328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine (CID 110052112) is 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine is O=C1OCCN1c1ccc(C/N=C(/NCCc2ccco2)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine?
The InChIKey is KKZNIXIFDUXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c29-23-28(13-17-32-23)20-5-3-19(4-6-20)18-26-22(24-8-7-21-2-1-14-31-21)25-9-10-27-11-15-30-16-12-27/h1-6,14H,7-13,15-18H2,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine?
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine has a molecular weight of 441.53 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine is sourced from PubChem (CID 110052112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).