4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one

C9H9NO4 — CID 130144619

IUPAC4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(O)c(O)c2)CO1
InChIInChI=1S/C9H9NO4/c11-7-2-1-5(3-8(7)12)6-4-14-9(13)10-6/h1-3,6,11-12H,4H2,(H,10,13)
InChIKeyUQFKQEKOELBDAL-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.88
Rot. Bonds1

About 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one

4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 130144619) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID130144619
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(O)c(O)c2)CO1
InChIInChI=1S/C9H9NO4/c11-7-2-1-5(3-8(7)12)6-4-14-9(13)10-6/h1-3,6,11-12H,4H2,(H,10,13)
InChIKeyUQFKQEKOELBDAL-UHFFFAOYSA-N
XLogP0.88
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131100701
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
CID 79977917
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one (CID 130144619) is 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one is O=C1NC(c2ccc(O)c(O)c2)CO1.
What is the InChIKey of 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UQFKQEKOELBDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7-2-1-5(3-8(7)12)6-4-14-9(13)10-6/h1-3,6,11-12H,4H2,(H,10,13).
What are the key properties of 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one?
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 195.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130144619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).