(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

C12H15NO4 — CID 10705020

IUPAC(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1C[C@H]1NC(=O)O[C@@H]1CO
InChIInChI=1S/C12H15NO4/c1-16-10-5-3-2-4-8(10)6-9-11(7-14)17-12(15)13-9/h2-5,9,11,14H,6-7H2,1H3,(H,13,15)/t9-,11-/m1/s1
InChIKeyKMUCDDRGZXDXGW-MWLCHTKSSA-N
MW237.25 g/mol
LogP0.71
Rot. Bonds4

About (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 10705020) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID10705020
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1C[C@H]1NC(=O)O[C@@H]1CO
InChIInChI=1S/C12H15NO4/c1-16-10-5-3-2-4-8(10)6-9-11(7-14)17-12(15)13-9/h2-5,9,11,14H,6-7H2,1H3,(H,13,15)/t9-,11-/m1/s1
InChIKeyKMUCDDRGZXDXGW-MWLCHTKSSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-6-[(2-methoxyphenyl)methyl]oxane-3,4,5-triol
CID 25183839
(4S,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 158691447
2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115062361
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
CID 68882474
(2-(111C)methoxyphenyl)methanol
CID 59897789
6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228731
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094665
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
4-[(2-methoxyphenyl)methyl]thiolan-3-one
CID 83196911

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 10705020) is (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccccc1C[C@H]1NC(=O)O[C@@H]1CO.
What is the InChIKey of (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KMUCDDRGZXDXGW-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-10-5-3-2-4-8(10)6-9-11(7-14)17-12(15)13-9/h2-5,9,11,14H,6-7H2,1H3,(H,13,15)/t9-,11-/m1/s1.
What are the key properties of (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).