1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone

C11H14N2O2 — CID 104613094

IUPAC1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
SMILESCC(=O)c1cc(N2CCCO2)ccc1N
InChIInChI=1S/C11H14N2O2/c1-8(14)10-7-9(3-4-11(10)12)13-5-2-6-15-13/h3-4,7H,2,5-6,12H2,1H3
InChIKeyDNMKIJXQNQPZDK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.61
Rot. Bonds2

About 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone

1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone (PubChem CID 104613094) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
PubChem CID104613094
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
SMILESCC(=O)c1cc(N2CCCO2)ccc1N
InChIInChI=1S/C11H14N2O2/c1-8(14)10-7-9(3-4-11(10)12)13-5-2-6-15-13/h3-4,7H,2,5-6,12H2,1H3
InChIKeyDNMKIJXQNQPZDK-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 113433026
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
1-[2-amino-5-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanone
CID 104612778
4-(3-acetyl-4-aminophenyl)piperazine-2,6-dione
CID 113433052
2-amino-4-(oxazinan-2-yl)benzenesulfonamide
CID 113375381
1-[2-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanone
CID 104612490
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone (CID 104613094) is 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone is CC(=O)c1cc(N2CCCO2)ccc1N.
What is the InChIKey of 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone?
The InChIKey is DNMKIJXQNQPZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)10-7-9(3-4-11(10)12)13-5-2-6-15-13/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone?
1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone has a molecular weight of 206.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone is sourced from PubChem (CID 104613094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).