methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate

C19H21NO5 — CID 134946089

IUPACmethyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(CCCCN3CCOC3=O)co2)cc1
InChIInChI=1S/C19H21NO5/c1-23-18(21)16-7-5-15(6-8-16)17-12-14(13-25-17)4-2-3-9-20-10-11-24-19(20)22/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyVIDQOYYTQJHWRL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.51
Rot. Bonds7

About methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate

methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate (PubChem CID 134946089) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate
PubChem CID134946089
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(CCCCN3CCOC3=O)co2)cc1
InChIInChI=1S/C19H21NO5/c1-23-18(21)16-7-5-15(6-8-16)17-12-14(13-25-17)4-2-3-9-20-10-11-24-19(20)22/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyVIDQOYYTQJHWRL-UHFFFAOYSA-N
XLogP3.51
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate (CID 134946089) is methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2cc(CCCCN3CCOC3=O)co2)cc1.
What is the InChIKey of methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate?
The InChIKey is VIDQOYYTQJHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-18(21)16-7-5-15(6-8-16)17-12-14(13-25-17)4-2-3-9-20-10-11-24-19(20)22/h5-8,12-13H,2-4,9-11H2,1H3.
What are the key properties of methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate?
methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate is sourced from PubChem (CID 134946089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).