(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one

C14H13NO2 — CID 42603547

IUPAC(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)=C/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H13NO2/c1-10(2)8-9-12-14(16)17-13(15-12)11-6-4-3-5-7-11/h3-9H,1-2H3/b12-9-
InChIKeyVEALIUJZTISKIU-XFXZXTDPSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

About (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one

(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 42603547) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID42603547
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)=C/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H13NO2/c1-10(2)8-9-12-14(16)17-13(15-12)11-6-4-3-5-7-11/h3-9H,1-2H3/b12-9-
InChIKeyVEALIUJZTISKIU-XFXZXTDPSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1270631
4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 3429426
(4E)-4-[(2Z)-2-benzylidenebutylidene]-2-phenyl-1,3-oxazol-5-one
CID 876956
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6199787
4-[(4-bromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 833873
ethyl [(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl] carbonate
CID 10515540
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 71414757
[2,3-diacetyloxy-5-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
CID 3272863

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one (CID 42603547) is (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one is CC(C)=C/C=C1\N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is VEALIUJZTISKIU-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(2)8-9-12-14(16)17-13(15-12)11-6-4-3-5-7-11/h3-9H,1-2H3/b12-9-.
What are the key properties of (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 227.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 42603547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).