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

C14H11N3O2 — CID 13234659

IUPAC(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1cn(/C=C2\N=C(c3ccccc3)OC2=O)cn1
InChIInChI=1S/C14H11N3O2/c1-10-7-17(9-15-10)8-12-14(18)19-13(16-12)11-5-3-2-4-6-11/h2-9H,1H3/b12-8-
InChIKeyUHWXAQYEQSHKBD-WQLSENKSSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds2

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

(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 13234659) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID13234659
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1cn(/C=C2\N=C(c3ccccc3)OC2=O)cn1
InChIInChI=1S/C14H11N3O2/c1-10-7-17(9-15-10)8-12-14(18)19-13(16-12)11-5-3-2-4-6-11/h2-9H,1H3/b12-8-
InChIKeyUHWXAQYEQSHKBD-WQLSENKSSA-N
XLogP1.99
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547
2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
CID 3519598
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4E)-2-(4-fluorophenyl)-4-[(3-methyl-1-phenylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 2322900
(4E)-4-[(2-chloro-3-pyridinyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 87048179
(4E)-4-[(5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6257969
(4Z)-2-(3-bromophenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687387
(4Z)-2-(4-phenylphenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665303

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 13234659) is (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is Cc1cn(/C=C2\N=C(c3ccccc3)OC2=O)cn1.
What is the InChIKey of (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is UHWXAQYEQSHKBD-WQLSENKSSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-7-17(9-15-10)8-12-14(18)19-13(16-12)11-5-3-2-4-6-11/h2-9H,1H3/b12-8-.
What are the key properties of (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 253.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 13234659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).