3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one

C10H12N2O2 — CID 70025917

IUPAC3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one
SMILESNc1ccc(CN2COCC2=O)cc1
InChIInChI=1S/C10H12N2O2/c11-9-3-1-8(2-4-9)5-12-7-14-6-10(12)13/h1-4H,5-7,11H2
InChIKeyIEFPXZGIWKXABZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.59
Rot. Bonds2

About 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one

3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one (PubChem CID 70025917) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one
PubChem CID70025917
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one
SMILESNc1ccc(CN2COCC2=O)cc1
InChIInChI=1S/C10H12N2O2/c11-9-3-1-8(2-4-9)5-12-7-14-6-10(12)13/h1-4H,5-7,11H2
InChIKeyIEFPXZGIWKXABZ-UHFFFAOYSA-N
XLogP0.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one?
The IUPAC name of 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one (CID 70025917) is 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one is Nc1ccc(CN2COCC2=O)cc1.
What is the InChIKey of 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one?
The InChIKey is IEFPXZGIWKXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9-3-1-8(2-4-9)5-12-7-14-6-10(12)13/h1-4H,5-7,11H2.
What are the key properties of 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one?
3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 70025917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).