5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

C15H21NO3 — CID 22368592

IUPAC5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-6-14-11-16(15(18)19-14)12-7-9-13(17)10-8-12/h7-10,14,17H,2-6,11H2,1H3
InChIKeyJIVBDCLYCPSGFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.69
Rot. Bonds6

About 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 22368592) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID22368592
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-6-14-11-16(15(18)19-14)12-7-9-13(17)10-8-12/h7-10,14,17H,2-6,11H2,1H3
InChIKeyJIVBDCLYCPSGFH-UHFFFAOYSA-N
XLogP3.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221
(5R)-5-hexyl-3-thiophen-3-yl-1,3-oxazolidin-2-one
CID 124582743
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
3-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870
2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 59580233
3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 46887116
2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060005
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742
2-[2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]acetonitrile
CID 59580299
5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
CID 59580231

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 22368592) is 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is CCCCCCC1CN(c2ccc(O)cc2)C(=O)O1.
What is the InChIKey of 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is JIVBDCLYCPSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-4-5-6-14-11-16(15(18)19-14)12-7-9-13(17)10-8-12/h7-10,14,17H,2-6,11H2,1H3.
What are the key properties of 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22368592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).