4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one

C12H16N2O3 — CID 115060206

IUPAC4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCC1COC(=O)N1Cc1ccccc1O
InChIInChI=1S/C12H16N2O3/c13-6-5-10-8-17-12(16)14(10)7-9-3-1-2-4-11(9)15/h1-4,10,15H,5-8,13H2
InChIKeyYAHAPMJEWVENNE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.06
Rot. Bonds4

About 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one

4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060206) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060206
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCC1COC(=O)N1Cc1ccccc1O
InChIInChI=1S/C12H16N2O3/c13-6-5-10-8-17-12(16)14(10)7-9-3-1-2-4-11(9)15/h1-4,10,15H,5-8,13H2
InChIKeyYAHAPMJEWVENNE-UHFFFAOYSA-N
XLogP1.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060232
(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
CID 97274733
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
CID 53344302
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115060258

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 115060206) is 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one is NCCC1COC(=O)N1Cc1ccccc1O.
What is the InChIKey of 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YAHAPMJEWVENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-6-5-10-8-17-12(16)14(10)7-9-3-1-2-4-11(9)15/h1-4,10,15H,5-8,13H2.
What are the key properties of 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one?
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).