(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one

C8H9ClN2O3 — CID 115056761

IUPAC(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(Cl)o2)C(=O)O1
InChIInChI=1S/C8H9ClN2O3/c9-6-1-2-7(14-6)11-4-5(3-10)13-8(11)12/h1-2,5H,3-4,10H2/t5-/m0/s1
InChIKeyWXLHWMCUFUXWLY-YFKPBYRVSA-N
MW216.62 g/mol
LogP1.22
Rot. Bonds2

About (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one (PubChem CID 115056761) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
PubChem CID115056761
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(Cl)o2)C(=O)O1
InChIInChI=1S/C8H9ClN2O3/c9-6-1-2-7(14-6)11-4-5(3-10)13-8(11)12/h1-2,5H,3-4,10H2/t5-/m0/s1
InChIKeyWXLHWMCUFUXWLY-YFKPBYRVSA-N
XLogP1.22
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one (CID 115056761) is (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(Cl)o2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is WXLHWMCUFUXWLY-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c9-6-1-2-7(14-6)11-4-5(3-10)13-8(11)12/h1-2,5H,3-4,10H2/t5-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 216.62 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).