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

C13H17NO4 — CID 146157496

IUPAC4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OCC2C(C)O)cc1
InChIInChI=1S/C13H17NO4/c1-9(15)12-8-18-13(16)14(12)7-10-3-5-11(17-2)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyMQWMJHDYYYAMOP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds4

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

4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 146157496) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID146157496
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OCC2C(C)O)cc1
InChIInChI=1S/C13H17NO4/c1-9(15)12-8-18-13(16)14(12)7-10-3-5-11(17-2)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyMQWMJHDYYYAMOP-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

Analyze 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
1-[(4R)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-4-yl]ethanol
CID 174942752
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851251
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
(4S)-3-(2-chloropropanoyl)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 139669353
(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 72913100
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
(4S)-3-[4-[(4-methoxyphenyl)methoxy]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14176356
(4S)-3-(2-bromopropanoyl)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 139669360

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 146157496) is 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OCC2C(C)O)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MQWMJHDYYYAMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(15)12-8-18-13(16)14(12)7-10-3-5-11(17-2)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)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 4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146157496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).