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

C13H13NO2 — CID 5369550

IUPAC(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyGFALCQUIQXDGSB-FLIBITNWSA-N
MW215.25 g/mol
LogP2.53
Rot. Bonds2

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

(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 5369550) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID5369550
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyGFALCQUIQXDGSB-FLIBITNWSA-N
XLogP2.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.53
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-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(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
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1270631
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 13234659
(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
(4E)-4-[(2Z)-2-benzylidenebutylidene]-2-phenyl-1,3-oxazol-5-one
CID 876956
(4E)-4-[(5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6257969

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one (CID 5369550) is (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one is CC(C)/C=C1\N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is GFALCQUIQXDGSB-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-.
What are the key properties of (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 215.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 5369550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).