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

C11H14N2O3 — CID 42281783

IUPAC(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc(N2C[C@@H](CN)OC2=O)c1
InChIInChI=1S/C11H14N2O3/c1-15-9-4-2-3-8(5-9)13-7-10(6-12)16-11(13)14/h2-5,10H,6-7,12H2,1H3/t10-/m1/s1
InChIKeyZLSSESQCPTVJLS-SNVBAGLBSA-N
MW222.24 g/mol
LogP0.98
Rot. Bonds3

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

(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 42281783) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID42281783
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc(N2C[C@@H](CN)OC2=O)c1
InChIInChI=1S/C11H14N2O3/c1-15-9-4-2-3-8(5-9)13-7-10(6-12)16-11(13)14/h2-5,10H,6-7,12H2,1H3/t10-/m1/s1
InChIKeyZLSSESQCPTVJLS-SNVBAGLBSA-N
XLogP0.98
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 115060280
5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327902

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one (CID 42281783) is (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one is COc1cccc(N2C[C@@H](CN)OC2=O)c1.
What is the InChIKey of (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is ZLSSESQCPTVJLS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-9-4-2-3-8(5-9)13-7-10(6-12)16-11(13)14/h2-5,10H,6-7,12H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 222.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 42281783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).