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

C12H12N2O2 — CID 729283

IUPAC(4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one
SMILESCN(C)/C=C1\C(=O)ON=C1c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-14(2)8-10-11(13-16-12(10)15)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-
InChIKeySAAHHEOMOHOCNQ-NTMALXAHSA-N
MW216.24 g/mol
LogP1.39
Rot. Bonds2

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

(4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one (PubChem CID 729283) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one
PubChem CID729283
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one
SMILESCN(C)/C=C1\C(=O)ON=C1c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-14(2)8-10-11(13-16-12(10)15)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-
InChIKeySAAHHEOMOHOCNQ-NTMALXAHSA-N
XLogP1.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
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-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one (CID 729283) is (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one is CN(C)/C=C1\C(=O)ON=C1c1ccccc1.
What is the InChIKey of (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one?
The InChIKey is SAAHHEOMOHOCNQ-NTMALXAHSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(2)8-10-11(13-16-12(10)15)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-.
What are the key properties of (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 729283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).