2-(3-aminophenyl)-1,2-oxazolidin-3-one

C9H10N2O2 — CID 105437344

IUPAC2-(3-aminophenyl)-1,2-oxazolidin-3-one
SMILESNc1cccc(N2OCCC2=O)c1
InChIInChI=1S/C9H10N2O2/c10-7-2-1-3-8(6-7)11-9(12)4-5-13-11/h1-3,6H,4-5,10H2
InChIKeyMZWNGXFONSSTTM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.94
Rot. Bonds1

About 2-(3-aminophenyl)-1,2-oxazolidin-3-one

2-(3-aminophenyl)-1,2-oxazolidin-3-one (PubChem CID 105437344) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1,2-oxazolidin-3-one
PubChem CID105437344
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(3-aminophenyl)-1,2-oxazolidin-3-one
SMILESNc1cccc(N2OCCC2=O)c1
InChIInChI=1S/C9H10N2O2/c10-7-2-1-3-8(6-7)11-9(12)4-5-13-11/h1-3,6H,4-5,10H2
InChIKeyMZWNGXFONSSTTM-UHFFFAOYSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
CID 117317942
2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one
CID 117368198
2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one
CID 117314420
2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
CID 117340817
2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
CID 105494586
2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117314462
3-(3-aminophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84777806
2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
CID 117297320
2-[4-(2-aminopropan-2-yl)phenyl]-1,2-oxazolidin-3-one
CID 117314433
1-(3-aminophenyl)pyrrolidin-3-one
CID 115014711
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 129379960
4-(3-aminophenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
CID 105472267

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1,2-oxazolidin-3-one?
The IUPAC name of 2-(3-aminophenyl)-1,2-oxazolidin-3-one (CID 105437344) is 2-(3-aminophenyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(3-aminophenyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(3-aminophenyl)-1,2-oxazolidin-3-one is Nc1cccc(N2OCCC2=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-1,2-oxazolidin-3-one?
The InChIKey is MZWNGXFONSSTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-7-2-1-3-8(6-7)11-9(12)4-5-13-11/h1-3,6H,4-5,10H2.
What are the key properties of 2-(3-aminophenyl)-1,2-oxazolidin-3-one?
2-(3-aminophenyl)-1,2-oxazolidin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 105437344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).