2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one

C20H27NO3 — CID 163139294

IUPAC2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCCCCCCCCC1=NC(=Cc2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-10-19-21-18(20(23)24-19)15-16-11-13-17(22)14-12-16/h11-15,22H,2-10H2,1H3
InChIKeyJEAKQFBLRLFHPL-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.22
Rot. Bonds10

About 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one

2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 163139294) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID163139294
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCCCCCCCCC1=NC(=Cc2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-10-19-21-18(20(23)24-19)15-16-11-13-17(22)14-12-16/h11-15,22H,2-10H2,1H3
InChIKeyJEAKQFBLRLFHPL-UHFFFAOYSA-N
XLogP5.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 163165382
(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 155424545
(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-hexylphenyl)-1,3-oxazol-5-one
CID 6297754
5-heptadecyl-4-[(4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one
CID 154229841
(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6072081
(4E)-4-[(4-methylphenyl)methylidene]-2-(2-methylpropyl)-1,3-oxazol-5-one
CID 108936083
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 102017980
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936523
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(2-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108936444
(4E)-4-[(4-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108936298
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936557
2-(4-decoxyphenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4608824

Frequently Asked Questions

What is the IUPAC name of 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one (CID 163139294) is 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one is CCCCCCCCCCC1=NC(=Cc2ccc(O)cc2)C(=O)O1.
What is the InChIKey of 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is JEAKQFBLRLFHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-10-19-21-18(20(23)24-19)15-16-11-13-17(22)14-12-16/h11-15,22H,2-10H2,1H3.
What are the key properties of 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one?
2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 329.44 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 163139294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).