(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane

C12H18N2O2 — CID 143785043

IUPAC(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.Nc1ccc(C[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C10H12N2O2.C2H6/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9;1-2/h1-4,9H,5-6,11H2,(H,12,13);1-2H3/t9-;/m0./s1
InChIKeyBUJZSBDAELVGHB-FVGYRXGTSA-N
MW222.29 g/mol
LogP1.95
Rot. Bonds2

About (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane

(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane (PubChem CID 143785043) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
PubChem CID143785043
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.Nc1ccc(C[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C10H12N2O2.C2H6/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9;1-2/h1-4,9H,5-6,11H2,(H,12,13);1-2H3/t9-;/m0./s1
InChIKeyBUJZSBDAELVGHB-FVGYRXGTSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
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 (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane?
The IUPAC name of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane (CID 143785043) is (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane is CC.Nc1ccc(C[C@H]2COC(=O)N2)cc1.
What is the InChIKey of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane?
The InChIKey is BUJZSBDAELVGHB-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12N2O2.C2H6/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9;1-2/h1-4,9H,5-6,11H2,(H,12,13);1-2H3/t9-;/m0./s1.
What are the key properties of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane?
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane has a molecular weight of 222.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 143785043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).