5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

C20H23NO4 — CID 139671317

IUPAC5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCCc1ccc(OCC2CN(c3ccc(O)cc3)C(=O)O2)cc1
InChIInChI=1S/C20H23NO4/c1-2-3-4-15-5-11-18(12-6-15)24-14-19-13-21(20(23)25-19)16-7-9-17(22)10-8-16/h5-12,19,22H,2-4,13-14H2,1H3
InChIKeyYBGWJRWIELTYEM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.14
Rot. Bonds7

About 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 139671317) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID139671317
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCCc1ccc(OCC2CN(c3ccc(O)cc3)C(=O)O2)cc1
InChIInChI=1S/C20H23NO4/c1-2-3-4-15-5-11-18(12-6-15)24-14-19-13-21(20(23)25-19)16-7-9-17(22)10-8-16/h5-12,19,22H,2-4,13-14H2,1H3
InChIKeyYBGWJRWIELTYEM-UHFFFAOYSA-N
XLogP4.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
5-(4-hexylphenyl)-3-(4-octoxyphenyl)-1,3-oxazolidin-2-one
CID 19956701
(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 142257657
4-[2-oxo-5-[(4-propoxyphenoxy)methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10287062
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198
4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
CID 18997196
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 170608873
5-(methoxymethyl)-3-[4-(4-oxo-5-phenylpentyl)phenyl]-1,3-oxazolidin-2-one
CID 19806362

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 139671317) is 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is CCCCc1ccc(OCC2CN(c3ccc(O)cc3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is YBGWJRWIELTYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-3-4-15-5-11-18(12-6-15)24-14-19-13-21(20(23)25-19)16-7-9-17(22)10-8-16/h5-12,19,22H,2-4,13-14H2,1H3.
What are the key properties of 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139671317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).