(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one

C18H15NO5 — CID 70253003

IUPAC(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1COc2cc(OC[C@@H]3CN(c4ccccc4)C(=O)O3)ccc21
InChIInChI=1S/C18H15NO5/c20-16-11-23-17-8-13(6-7-15(16)17)22-10-14-9-19(18(21)24-14)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-/m0/s1
InChIKeyVFRCRLWEORZFAJ-AWEZNQCLSA-N
MW325.32 g/mol
LogP2.67
Rot. Bonds4

About (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one

(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 70253003) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID70253003
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1COc2cc(OC[C@@H]3CN(c4ccccc4)C(=O)O3)ccc21
InChIInChI=1S/C18H15NO5/c20-16-11-23-17-8-13(6-7-15(16)17)22-10-14-9-19(18(21)24-14)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-/m0/s1
InChIKeyVFRCRLWEORZFAJ-AWEZNQCLSA-N
XLogP2.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580285
5-[(4-cyclopentylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580300
3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 59580236
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198
5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580305
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 124583005
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one (CID 70253003) is (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1COc2cc(OC[C@@H]3CN(c4ccccc4)C(=O)O3)ccc21.
What is the InChIKey of (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VFRCRLWEORZFAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15NO5/c20-16-11-23-17-8-13(6-7-15(16)17)22-10-14-9-19(18(21)24-14)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-/m0/s1.
What are the key properties of (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one?
(5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 325.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70253003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).