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

C13H17NO4 — CID 90423794

IUPAC(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@@H]2[C@@H](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/t9-,12-/m1/s1
InChIKeyMQWMJHDYYYAMOP-BXKDBHETSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds4

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

(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 90423794) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID90423794
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@@H]2[C@@H](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/t9-,12-/m1/s1
InChIKeyMQWMJHDYYYAMOP-BXKDBHETSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 90423794) is (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OC[C@@H]2[C@@H](C)O)cc1.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MQWMJHDYYYAMOP-BXKDBHETSA-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/t9-,12-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
(4R)-4-[(1R)-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 (4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90423794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).