[(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate

C16H18N2O4S — CID 122140455

IUPAC[(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCc2nc(CC(=O)O[C@H]3CNOC3)cs2)cc1
InChIInChI=1S/C16H18N2O4S/c1-11-2-4-13(5-3-11)20-9-15-18-12(10-23-15)6-16(19)22-14-7-17-21-8-14/h2-5,10,14,17H,6-9H2,1H3/t14-/m0/s1
InChIKeyQXBZDSYBCSUYFU-AWEZNQCLSA-N
MW334.40 g/mol
LogP2.02
Rot. Bonds6

About [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate

[(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 122140455) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID122140455
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name[(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCc2nc(CC(=O)O[C@H]3CNOC3)cs2)cc1
InChIInChI=1S/C16H18N2O4S/c1-11-2-4-13(5-3-11)20-9-15-18-12(10-23-15)6-16(19)22-14-7-17-21-8-14/h2-5,10,14,17H,6-9H2,1H3/t14-/m0/s1
InChIKeyQXBZDSYBCSUYFU-AWEZNQCLSA-N
XLogP2.02
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 122140450
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
CID 119388318
(3-iodophenyl) 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 16572622
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(1,3-oxazolidin-3-yl)ethanone
CID 126816930
(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477220
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 38531804
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31612187
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 26010132

Frequently Asked Questions

What is the IUPAC name of [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate (CID 122140455) is [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate is Cc1ccc(OCc2nc(CC(=O)O[C@H]3CNOC3)cs2)cc1.
What is the InChIKey of [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is QXBZDSYBCSUYFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-2-4-13(5-3-11)20-9-15-18-12(10-23-15)6-16(19)22-14-7-17-21-8-14/h2-5,10,14,17H,6-9H2,1H3/t14-/m0/s1.
What are the key properties of [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
[(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 334.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1,2-oxazolidin-4-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 122140455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).