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

C16H11NO3 — CID 135580723

IUPAC(4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccccc1O
InChIInChI=1S/C16H11NO3/c18-14-9-5-4-8-12(14)10-13-15(17-20-16(13)19)11-6-2-1-3-7-11/h1-10,18H/b13-10-
InChIKeySHKLSRHJZDMJDS-RAXLEYEMSA-N
MW265.27 g/mol
LogP2.74
Rot. Bonds2

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

(4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 135580723) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID135580723
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name(4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccccc1O
InChIInChI=1S/C16H11NO3/c18-14-9-5-4-8-12(14)10-13-15(17-20-16(13)19)11-6-2-1-3-7-11/h1-10,18H/b13-10-
InChIKeySHKLSRHJZDMJDS-RAXLEYEMSA-N
XLogP2.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (CID 135580723) is (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1O.
What is the InChIKey of (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is SHKLSRHJZDMJDS-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14-9-5-4-8-12(14)10-13-15(17-20-16(13)19)11-6-2-1-3-7-11/h1-10,18H/b13-10-.
What are the key properties of (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 265.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 135580723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).