5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one

C12H14ClNO4 — CID 63364467

IUPAC5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](O)c1cc(Cl)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C12H14ClNO4/c1-7(15)10-4-8(13)2-3-11(10)17-6-9-5-14-12(16)18-9/h2-4,7,9,15H,5-6H2,1H3,(H,14,16)/t7-,9?/m1/s1
InChIKeySOMLIZKLPSDUTA-YOXFSPIKSA-N
MW271.70 g/mol
LogP1.88
Rot. Bonds4

About 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 63364467) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID63364467
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](O)c1cc(Cl)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C12H14ClNO4/c1-7(15)10-4-8(13)2-3-11(10)17-6-9-5-14-12(16)18-9/h2-4,7,9,15H,5-6H2,1H3,(H,14,16)/t7-,9?/m1/s1
InChIKeySOMLIZKLPSDUTA-YOXFSPIKSA-N
XLogP1.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 78936648
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
CID 66849130
CID 66849130
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 63364467) is 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one is C[C@@H](O)c1cc(Cl)ccc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SOMLIZKLPSDUTA-YOXFSPIKSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7(15)10-4-8(13)2-3-11(10)17-6-9-5-14-12(16)18-9/h2-4,7,9,15H,5-6H2,1H3,(H,14,16)/t7-,9?/m1/s1.
What are the key properties of 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 271.70 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 63364467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).