(4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol

C8H10ClNO2S — CID 131071019

IUPAC(4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol
SMILESO[C@@H]1CON(Cc2csc(Cl)c2)C1
InChIInChI=1S/C8H10ClNO2S/c9-8-1-6(5-13-8)2-10-3-7(11)4-12-10/h1,5,7,11H,2-4H2/t7-/m0/s1
InChIKeyCZWZAFXHJNSNAL-ZETCQYMHSA-N
MW219.69 g/mol
LogP1.51
Rot. Bonds2

About (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol

(4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol (PubChem CID 131071019) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name(4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol
PubChem CID131071019
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name(4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol
SMILESO[C@@H]1CON(Cc2csc(Cl)c2)C1
InChIInChI=1S/C8H10ClNO2S/c9-8-1-6(5-13-8)2-10-3-7(11)4-12-10/h1,5,7,11H,2-4H2/t7-/m0/s1
InChIKeyCZWZAFXHJNSNAL-ZETCQYMHSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol?
The IUPAC name of (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol (CID 131071019) is (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol is O[C@@H]1CON(Cc2csc(Cl)c2)C1.
What is the InChIKey of (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol?
The InChIKey is CZWZAFXHJNSNAL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c9-8-1-6(5-13-8)2-10-3-7(11)4-12-10/h1,5,7,11H,2-4H2/t7-/m0/s1.
What are the key properties of (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol?
(4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol has a molecular weight of 219.69 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(5-chlorothiophen-3-yl)methyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 131071019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).