3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one

C9H10N2O3 — CID 89289415

IUPAC3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESNc1ccc(N2CCOC2=O)cc1O
InChIInChI=1S/C9H10N2O3/c10-7-2-1-6(5-8(7)12)11-3-4-14-9(11)13/h1-2,5,12H,3-4,10H2
InChIKeyIRCFPSKGCSHCIV-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.93
Rot. Bonds1

About 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one

3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 89289415) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID89289415
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESNc1ccc(N2CCOC2=O)cc1O
InChIInChI=1S/C9H10N2O3/c10-7-2-1-6(5-8(7)12)11-3-4-14-9(11)13/h1-2,5,12H,3-4,10H2
InChIKeyIRCFPSKGCSHCIV-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 89289415) is 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one is Nc1ccc(N2CCOC2=O)cc1O.
What is the InChIKey of 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IRCFPSKGCSHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-7-2-1-6(5-8(7)12)11-3-4-14-9(11)13/h1-2,5,12H,3-4,10H2.
What are the key properties of 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one?
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 194.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 89289415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).