methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate

C18H21NO4 — CID 8636615

IUPACmethyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1
InChIInChI=1S/C18H21NO4/c1-21-18(20)14-6-4-13(5-7-14)17-9-8-16(23-17)12-19-11-15-3-2-10-22-15/h4-9,15,19H,2-3,10-12H2,1H3/t15-/m0/s1
InChIKeySVZFMPFNBBHWHO-HNNXBMFYSA-N
MW315.37 g/mol
LogP3.00
Rot. Bonds6

About methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate

methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate (PubChem CID 8636615) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
PubChem CID8636615
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namemethyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1
InChIInChI=1S/C18H21NO4/c1-21-18(20)14-6-4-13(5-7-14)17-9-8-16(23-17)12-19-11-15-3-2-10-22-15/h4-9,15,19H,2-3,10-12H2,1H3/t15-/m0/s1
InChIKeySVZFMPFNBBHWHO-HNNXBMFYSA-N
XLogP3.00
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate with MolForge

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Related Compounds

4-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17056052
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
3-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212805
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
methyl 3-bromo-4-[(oxolan-2-ylmethylamino)methyl]benzoate
CID 102766465
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4724559
N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine;oxalic acid
CID 17052973
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332875
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate (CID 8636615) is methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1.
What is the InChIKey of methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate?
The InChIKey is SVZFMPFNBBHWHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-18(20)14-6-4-13(5-7-14)17-9-8-16(23-17)12-19-11-15-3-2-10-22-15/h4-9,15,19H,2-3,10-12H2,1H3/t15-/m0/s1.
What are the key properties of methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate?
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate has a molecular weight of 315.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 8636615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).