5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one

C13H18N2O3 — CID 78936648

IUPAC5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CNC(=O)O2)c([C@@H](C)N)c1
InChIInChI=1S/C13H18N2O3/c1-8-3-4-12(11(5-8)9(2)14)17-7-10-6-15-13(16)18-10/h3-5,9-10H,6-7,14H2,1-2H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyPMRIJZUGLGAAGF-YHMJZVADSA-N
MW250.30 g/mol
LogP1.50
Rot. Bonds4

About 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 78936648) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID78936648
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CNC(=O)O2)c([C@@H](C)N)c1
InChIInChI=1S/C13H18N2O3/c1-8-3-4-12(11(5-8)9(2)14)17-7-10-6-15-13(16)18-10/h3-5,9-10H,6-7,14H2,1-2H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyPMRIJZUGLGAAGF-YHMJZVADSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
5-[[2-[1-(ethylamino)ethyl]-5-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 63640817
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496496
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
CID 66849130
CID 66849130
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one (CID 78936648) is 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one is Cc1ccc(OCC2CNC(=O)O2)c([C@@H](C)N)c1.
What is the InChIKey of 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PMRIJZUGLGAAGF-YHMJZVADSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-3-4-12(11(5-8)9(2)14)17-7-10-6-15-13(16)18-10/h3-5,9-10H,6-7,14H2,1-2H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 78936648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).