(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one

C12H12N2O2 — CID 129499040

IUPAC(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
SMILESC#Cc1ccc(N2C[C@@H](CN)OC2=O)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-3-5-10(6-4-9)14-8-11(7-13)16-12(14)15/h1,3-6,11H,7-8,13H2/t11-/m1/s1
InChIKeyHYAURGWUJQZHBK-LLVKDONJSA-N
MW216.24 g/mol
LogP0.95
Rot. Bonds2

About (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one

(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one (PubChem CID 129499040) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
PubChem CID129499040
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
SMILESC#Cc1ccc(N2C[C@@H](CN)OC2=O)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-3-5-10(6-4-9)14-8-11(7-13)16-12(14)15/h1,3-6,11H,7-8,13H2/t11-/m1/s1
InChIKeyHYAURGWUJQZHBK-LLVKDONJSA-N
XLogP0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
3-[3-(4-ethynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
CID 118050525
ethyl (2R)-3-[(5S)-3-(4-ethynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
CID 144840869
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one (CID 129499040) is (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one is C#Cc1ccc(N2C[C@@H](CN)OC2=O)cc1.
What is the InChIKey of (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is HYAURGWUJQZHBK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-3-5-10(6-4-9)14-8-11(7-13)16-12(14)15/h1,3-6,11H,7-8,13H2/t11-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one?
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 129499040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).