(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one

C10H12N2O2 — CID 67217943

IUPAC(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1c1cccc(N)c1
InChIInChI=1S/C10H12N2O2/c1-7-6-14-10(13)12(7)9-4-2-3-8(11)5-9/h2-5,7H,6,11H2,1H3/t7-/m1/s1
InChIKeyAEPNXDGUMLXXCX-SSDOTTSWSA-N
MW192.22 g/mol
LogP1.61
Rot. Bonds1

About (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one

(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67217943) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID67217943
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1c1cccc(N)c1
InChIInChI=1S/C10H12N2O2/c1-7-6-14-10(13)12(7)9-4-2-3-8(11)5-9/h2-5,7H,6,11H2,1H3/t7-/m1/s1
InChIKeyAEPNXDGUMLXXCX-SSDOTTSWSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 67217943) is (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1COC(=O)N1c1cccc(N)c1.
What is the InChIKey of (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is AEPNXDGUMLXXCX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-6-14-10(13)12(7)9-4-2-3-8(11)5-9/h2-5,7H,6,11H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67217943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).