[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

C11H16N2O3S — CID 97123080

IUPAC[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1C[C@H](O)CO1
InChIInChI=1S/C11H16N2O3S/c1-6(2)10-12-7(3)9(17-10)11(15)13-4-8(14)5-16-13/h6,8,14H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyXSXUHMVVNDJPTQ-QMMMGPOBSA-N
MW256.33 g/mol
LogP1.32
Rot. Bonds2

About [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 97123080) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID97123080
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1C[C@H](O)CO1
InChIInChI=1S/C11H16N2O3S/c1-6(2)10-12-7(3)9(17-10)11(15)13-4-8(14)5-16-13/h6,8,14H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyXSXUHMVVNDJPTQ-QMMMGPOBSA-N
XLogP1.32
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 97123080) is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(C(C)C)sc1C(=O)N1C[C@H](O)CO1.
What is the InChIKey of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is XSXUHMVVNDJPTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-6(2)10-12-7(3)9(17-10)11(15)13-4-8(14)5-16-13/h6,8,14H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 97123080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).