(4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one

C15H10N2O3 — CID 35594410

IUPAC(4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccnc2)=N/C1=C/c1ccc(O)cc1
InChIInChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
InChIKeyUWTVRSKVEGEACS-MDWZMJQESA-N
MW266.26 g/mol
LogP2.13
Rot. Bonds2

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

(4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one (PubChem CID 35594410) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
PubChem CID35594410
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccnc2)=N/C1=C/c1ccc(O)cc1
InChIInChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
InChIKeyUWTVRSKVEGEACS-MDWZMJQESA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 1551558
4-Pyridin-3-ylmethylene-2-m-tolyl-4H-oxazol-5-one
CID 5285453
3-(6-Phenoxy-pyridin-3-yl)-acrylic acid
CID 2797743
4-(4-Methoxybenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIId)
CID 6112945
4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIe)
CID 35594376
4-(2-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIf)
CID 122711699
4-Benzylidene-2-(pyridin-3-yl) oxazol-5(4H)-one (IIIa)
CID 122711717
2-(pyridin-3-yl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one (IIIg)
CID 126963295
2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 2406980
2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 5842430
(4Z)-2-(4-Methylphenyl)-4-[(pyridin-3-YL)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 2094146
2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 122415289

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one (CID 35594410) is (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is O=C1OC(c2cccnc2)=N/C1=C/c1ccc(O)cc1.
What is the InChIKey of (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
The InChIKey is UWTVRSKVEGEACS-MDWZMJQESA-N. The full InChI is InChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+.
What are the key properties of (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one?
(4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one has a molecular weight of 266.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-yl-1,3-oxazol-5-one is sourced from PubChem (CID 35594410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).