3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione

C12H14N2O3 — CID 3021843

IUPAC3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1OC(=O)N(CCc2ccc(N)cc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-8-11(15)14(12(16)17-8)7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKeyCXFTUDNPVWUFGC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione

3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 3021843) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID3021843
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1OC(=O)N(CCc2ccc(N)cc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-8-11(15)14(12(16)17-8)7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKeyCXFTUDNPVWUFGC-UHFFFAOYSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.18
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

3-Oxazolidinesulfonamide, N-(4-methylphenyl)-2-oxo-
CID 9795067
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011280
N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011307
N-[[(5S)-3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164511
2-Oxazolidinone, 5-hydroxymethyl-3-(p-tolyl)-, carbamate
CID 207145
3-(2-(4-Aminophenyl)ethyl)-1,3-oxazolidin-2-one
CID 10703476
3-[(4-Aminophenyl)methyl]-1,3-oxazolidin-2-one
CID 18624560
Tert-butyl 3-(4-aminophenyl)pyrrolidine-1-carboxylate
CID 57365069
N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoroethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9965967
N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011285
N-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011292
N-[[3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011309

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 3021843) is 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione is CC1OC(=O)N(CCc2ccc(N)cc2)C1=O.
What is the InChIKey of 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is CXFTUDNPVWUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-11(15)14(12(16)17-8)7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione?
3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3021843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).