(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

C10H12N2O3 — CID 115056869

IUPAC(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C10H12N2O3/c11-5-9-6-12(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,11H2/t9-/m0/s1
InChIKeyUZFROWOYGZGWSW-VIFPVBQESA-N
MW208.22 g/mol
LogP0.68
Rot. Bonds2

About (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 115056869) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID115056869
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C10H12N2O3/c11-5-9-6-12(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,11H2/t9-/m0/s1
InChIKeyUZFROWOYGZGWSW-VIFPVBQESA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060005
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
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
5-benzyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 54588510
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 115056869) is (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(O)cc2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UZFROWOYGZGWSW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O3/c11-5-9-6-12(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,11H2/t9-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).