(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone

C8H8ClNO3S — CID 130522657

IUPAC(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
SMILESO=C(c1sccc1Cl)N1C[C@@H](O)CO1
InChIInChI=1S/C8H8ClNO3S/c9-6-1-2-14-7(6)8(12)10-3-5(11)4-13-10/h1-2,5,11H,3-4H2/t5-/m1/s1
InChIKeyHUYRCMZUFZTIQY-RXMQYKEDSA-N
MW233.68 g/mol
LogP1.15
Rot. Bonds1

About (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone

(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone (PubChem CID 130522657) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
PubChem CID130522657
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
SMILESO=C(c1sccc1Cl)N1C[C@@H](O)CO1
InChIInChI=1S/C8H8ClNO3S/c9-6-1-2-14-7(6)8(12)10-3-5(11)4-13-10/h1-2,5,11H,3-4H2/t5-/m1/s1
InChIKeyHUYRCMZUFZTIQY-RXMQYKEDSA-N
XLogP1.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone (CID 130522657) is (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone is O=C(c1sccc1Cl)N1C[C@@H](O)CO1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
The InChIKey is HUYRCMZUFZTIQY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c9-6-1-2-14-7(6)8(12)10-3-5(11)4-13-10/h1-2,5,11H,3-4H2/t5-/m1/s1.
What are the key properties of (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
(3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone has a molecular weight of 233.68 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 130522657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).