(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

C17H17NO4 — CID 24993379

IUPAC(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](CO)O1
InChIInChI=1S/C17H17NO4/c19-10-15-16(18-17(20)22-15)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,18,20)/t15-,16-/m1/s1
InChIKeySYZRTKJGJQCZNF-HZPDHXFCSA-N
MW299.33 g/mol
LogP2.41
Rot. Bonds5

About (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 24993379) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID24993379
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](CO)O1
InChIInChI=1S/C17H17NO4/c19-10-15-16(18-17(20)22-15)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,18,20)/t15-,16-/m1/s1
InChIKeySYZRTKJGJQCZNF-HZPDHXFCSA-N
XLogP2.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2470269
(4R,5S)-3-[4-(dimethylamino)phenyl]-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 91012413
benzyl 4-methylidene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 3648309
methyl (2S,4R)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
CID 10644848
methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
CID 101189471
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
[3-hydroxy-2-(hydroxymethyl)oxan-4-yl] 4-phenylmethoxybenzoate
CID 142600755
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
CID 169114961
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 139636777
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (CID 24993379) is (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](CO)O1.
What is the InChIKey of (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is SYZRTKJGJQCZNF-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H17NO4/c19-10-15-16(18-17(20)22-15)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,18,20)/t15-,16-/m1/s1.
What are the key properties of (4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.41, 5 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-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24993379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).