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

C10H12ClNO2S — CID 70899629

IUPAC(4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](c2ccc(Cl)s2)[C@@H]1C
InChIInChI=1S/C10H12ClNO2S/c1-3-12-6(2)9(14-10(12)13)7-4-5-8(11)15-7/h4-6,9H,3H2,1-2H3/t6-,9-/m0/s1
InChIKeyOCOXTHBRDJPTJA-RCOVLWMOSA-N
MW245.73 g/mol
LogP3.30
Rot. Bonds2

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

(4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 70899629) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID70899629
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name(4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](c2ccc(Cl)s2)[C@@H]1C
InChIInChI=1S/C10H12ClNO2S/c1-3-12-6(2)9(14-10(12)13)7-4-5-8(11)15-7/h4-6,9H,3H2,1-2H3/t6-,9-/m0/s1
InChIKeyOCOXTHBRDJPTJA-RCOVLWMOSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one (CID 70899629) is (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one is CCN1C(=O)O[C@H](c2ccc(Cl)s2)[C@@H]1C.
What is the InChIKey of (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is OCOXTHBRDJPTJA-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-3-12-6(2)9(14-10(12)13)7-4-5-8(11)15-7/h4-6,9H,3H2,1-2H3/t6-,9-/m0/s1.
What are the key properties of (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 245.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(5-chlorothiophen-2-yl)-3-ethyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70899629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).