(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one

C8H8ClNO2S — CID 67066013

IUPAC(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNO2S/c1-4-7(12-8(11)10-4)5-2-3-6(9)13-5/h2-4,7H,1H3,(H,10,11)/t4-,7-/m0/s1
InChIKeyLMPNQKMAEJOEIO-FFWSUHOLSA-N
MW217.68 g/mol
LogP2.57
Rot. Bonds1

About (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one

(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67066013) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID67066013
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNO2S/c1-4-7(12-8(11)10-4)5-2-3-6(9)13-5/h2-4,7H,1H3,(H,10,11)/t4-,7-/m0/s1
InChIKeyLMPNQKMAEJOEIO-FFWSUHOLSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one (CID 67066013) is (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)O[C@@H]1c1ccc(Cl)s1.
What is the InChIKey of (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is LMPNQKMAEJOEIO-FFWSUHOLSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c1-4-7(12-8(11)10-4)5-2-3-6(9)13-5/h2-4,7H,1H3,(H,10,11)/t4-,7-/m0/s1.
What are the key properties of (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 217.68 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67066013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).