(4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate

C19H15NO6 — CID 72714500

IUPAC(4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate
SMILESCOc1ccc(COC(=O)C2=CON3C(=O)c4ccccc4C23O)cc1
InChIInChI=1S/C19H15NO6/c1-24-13-8-6-12(7-9-13)10-25-18(22)16-11-26-20-17(21)14-4-2-3-5-15(14)19(16,20)23/h2-9,11,23H,10H2,1H3
InChIKeyMJUYYZFZJVFSDO-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.87
Rot. Bonds4

About (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate

(4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate (PubChem CID 72714500) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate
PubChem CID72714500
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name(4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate
SMILESCOc1ccc(COC(=O)C2=CON3C(=O)c4ccccc4C23O)cc1
InChIInChI=1S/C19H15NO6/c1-24-13-8-6-12(7-9-13)10-25-18(22)16-11-26-20-17(21)14-4-2-3-5-15(14)19(16,20)23/h2-9,11,23H,10H2,1H3
InChIKeyMJUYYZFZJVFSDO-UHFFFAOYSA-N
XLogP1.87
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-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

3-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-2-methylisoindol-1-one
CID 102482299
(4-methoxyphenyl)methyl (3aR,8bS)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
CID 1038399
(4-methoxyphenyl)methyl 4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 16579033
(4-methoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 8926973
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
(4-methoxyphenyl)methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16577462
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate (CID 72714500) is (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate is COc1ccc(COC(=O)C2=CON3C(=O)c4ccccc4C23O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate?
The InChIKey is MJUYYZFZJVFSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-24-13-8-6-12(7-9-13)10-25-18(22)16-11-26-20-17(21)14-4-2-3-5-15(14)19(16,20)23/h2-9,11,23H,10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate?
(4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate has a molecular weight of 353.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 9b-hydroxy-5-oxo-[1,2]oxazolo[3,2-a]isoindole-1-carboxylate is sourced from PubChem (CID 72714500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).