3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one

C11H14N2O3 — CID 43365795

IUPAC3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(OCCN2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O3/c12-9-1-3-10(4-2-9)15-7-5-13-6-8-16-11(13)14/h1-4H,5-8,12H2
InChIKeySXYVWCZHGPSBLY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.10
Rot. Bonds4

About 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one

3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one (PubChem CID 43365795) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one
PubChem CID43365795
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(OCCN2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O3/c12-9-1-3-10(4-2-9)15-7-5-13-6-8-16-11(13)14/h1-4H,5-8,12H2
InChIKeySXYVWCZHGPSBLY-UHFFFAOYSA-N
XLogP1.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Piperidin-1-yl-ethoxy)-phenylamine
CID 3016025
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
3-{4-[3(R)-hydroxybutoxy]phenyl}-(R)-5-methoxymethyloxazolidin-2-one
CID 18646233
(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 18646235
4-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenoxy)aniline
CID 49805303
4-Acetamidophenyl pyrrolidine-1-carboxylate
CID 970680
5-(Phenoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 136950
2-Morpholinoethyl N-(4-methoxyphenyl)carbamate
CID 3087024
4-(2-Morpholinoethoxy)aniline
CID 6484711
(5R)-5-(methoxymethyl)-3-[4-(3-methylbut-3-enoxy)phenyl]-1,3-oxazolidin-2-one
CID 44280517
(5R)-3-[4-(2-hydroxyethoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 44280525
(5R)-3-[4-(2-hydroxypropoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 44280526

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one (CID 43365795) is 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one is Nc1ccc(OCCN2CCOC2=O)cc1.
What is the InChIKey of 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is SXYVWCZHGPSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-1-3-10(4-2-9)15-7-5-13-6-8-16-11(13)14/h1-4H,5-8,12H2.
What are the key properties of 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one?
3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43365795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).