(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C14H19NO4 — CID 10378182

IUPAC(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCO)cc2)C(=O)O1
InChIInChI=1S/C14H19NO4/c1-18-10-13-9-15(14(17)19-13)12-6-4-11(5-7-12)3-2-8-16/h4-7,13,16H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyCKRJESKFNXRZMI-CYBMUJFWSA-N
MW265.31 g/mol
LogP1.58
Rot. Bonds6

About (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 10378182) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID10378182
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCO)cc2)C(=O)O1
InChIInChI=1S/C14H19NO4/c1-18-10-13-9-15(14(17)19-13)12-6-4-11(5-7-12)3-2-8-16/h4-7,13,16H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyCKRJESKFNXRZMI-CYBMUJFWSA-N
XLogP1.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one
CID 19806362
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 3061370
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
ethyl (2R)-3-[(5S)-3-[4-(3-hydroxypropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate
CID 144840840
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
3-(7-hydroxynaphthalen-2-yl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 19012479
(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 142257657
3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
CID 23371834

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 10378182) is (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(CCCO)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is CKRJESKFNXRZMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-10-13-9-15(14(17)19-13)12-6-4-11(5-7-12)3-2-8-16/h4-7,13,16H,2-3,8-10H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10378182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).