methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate

C19H17NO5 — CID 3939095

IUPACmethyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C19H17NO5/c1-24-19(23)13-7-9-14(10-8-13)20-18(22)15-11-16(21)25-17(15)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,20,22)
InChIKeyOCYNCNWHCGSPGK-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.72
Rot. Bonds4

About methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate

methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate (PubChem CID 3939095) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate
PubChem CID3939095
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C19H17NO5/c1-24-19(23)13-7-9-14(10-8-13)20-18(22)15-11-16(21)25-17(15)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,20,22)
InChIKeyOCYNCNWHCGSPGK-UHFFFAOYSA-N
XLogP2.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate (CID 3939095) is methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate?
The InChIKey is OCYNCNWHCGSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-19(23)13-7-9-14(10-8-13)20-18(22)15-11-16(21)25-17(15)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,20,22).
What are the key properties of methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate?
methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate has a molecular weight of 339.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate is sourced from PubChem (CID 3939095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).