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

C13H17NO4 — CID 115064763

IUPAC5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC(C)(CO)OC2=O)cc1
InChIInChI=1S/C13H17NO4/c1-13(9-15)8-14(12(16)18-13)7-10-3-5-11(17-2)6-4-10/h3-6,15H,7-9H2,1-2H3
InChIKeyCRQYRBCBIYQNQE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds4

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

5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115064763) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID115064763
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CC(C)(CO)OC2=O)cc1
InChIInChI=1S/C13H17NO4/c1-13(9-15)8-14(12(16)18-13)7-10-3-5-11(17-2)6-4-10/h3-6,15H,7-9H2,1-2H3
InChIKeyCRQYRBCBIYQNQE-UHFFFAOYSA-N
XLogP1.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115064757
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319
1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
CID 129101345
ethane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 145304270
[(5S,7S)-3-[(4-methoxyphenyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl methanesulfonate
CID 89389464
5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065199
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
CID 89394608
CID 89394608
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115065280
2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
CID 90319948
(1R,5R,6S,7S)-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 100935785

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 115064763) is 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is COc1ccc(CN2CC(C)(CO)OC2=O)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is CRQYRBCBIYQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(9-15)8-14(12(16)18-13)7-10-3-5-11(17-2)6-4-10/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).