1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

C14H14N2O3S — CID 164629341

IUPAC1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1C[C@H](O)CO1
InChIInChI=1S/C14H14N2O3S/c17-12-7-16(19-8-12)13(18)6-11-9-20-14(15-11)10-4-2-1-3-5-10/h1-5,9,12,17H,6-8H2/t12-/m0/s1
InChIKeyIQQVCQCNYARHSO-LBPRGKRZSA-N
MW290.34 g/mol
LogP1.49
Rot. Bonds3

About 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 164629341) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID164629341
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1C[C@H](O)CO1
InChIInChI=1S/C14H14N2O3S/c17-12-7-16(19-8-12)13(18)6-11-9-20-14(15-11)10-4-2-1-3-5-10/h1-5,9,12,17H,6-8H2/t12-/m0/s1
InChIKeyIQQVCQCNYARHSO-LBPRGKRZSA-N
XLogP1.49
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 164629341) is 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccccc2)n1)N1C[C@H](O)CO1.
What is the InChIKey of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is IQQVCQCNYARHSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-12-7-16(19-8-12)13(18)6-11-9-20-14(15-11)10-4-2-1-3-5-10/h1-5,9,12,17H,6-8H2/t12-/m0/s1.
What are the key properties of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 290.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 164629341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).