(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one

C15H11ClN2O2 — CID 51112053

IUPAC(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one
SMILESCN1C=CC=C/C1=C1\N=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C15H11ClN2O2/c1-18-9-3-2-4-12(18)13-15(19)20-14(17-13)10-5-7-11(16)8-6-10/h2-9H,1H3/b13-12+
InChIKeySJRYSYJRXHTPQI-OUKQBFOZSA-N
MW286.72 g/mol
LogP2.87
Rot. Bonds1

About (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one

(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one (PubChem CID 51112053) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one
PubChem CID51112053
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one
SMILESCN1C=CC=C/C1=C1\N=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C15H11ClN2O2/c1-18-9-3-2-4-12(18)13-15(19)20-14(17-13)10-5-7-11(16)8-6-10/h2-9H,1H3/b13-12+
InChIKeySJRYSYJRXHTPQI-OUKQBFOZSA-N
XLogP2.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one (CID 51112053) is (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one is CN1C=CC=C/C1=C1\N=C(c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one?
The InChIKey is SJRYSYJRXHTPQI-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-18-9-3-2-4-12(18)13-15(19)20-14(17-13)10-5-7-11(16)8-6-10/h2-9H,1H3/b13-12+.
What are the key properties of (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one?
(4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one has a molecular weight of 286.72 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-chlorophenyl)-4-(1-methyl-2-pyridinylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 51112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).