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

C13H14N2O3 — CID 878739

IUPAC(4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1cccc(C2=N/C(=C\N(C)C)C(=O)O2)c1
InChIInChI=1S/C13H14N2O3/c1-15(2)8-11-13(16)18-12(14-11)9-5-4-6-10(7-9)17-3/h4-8H,1-3H3/b11-8-
InChIKeyLZFQMHVDVQZJFQ-FLIBITNWSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds3

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

(4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one (PubChem CID 878739) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one
PubChem CID878739
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1cccc(C2=N/C(=C\N(C)C)C(=O)O2)c1
InChIInChI=1S/C13H14N2O3/c1-15(2)8-11-13(16)18-12(14-11)9-5-4-6-10(7-9)17-3/h4-8H,1-3H3/b11-8-
InChIKeyLZFQMHVDVQZJFQ-FLIBITNWSA-N
XLogP1.40
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one (CID 878739) is (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one is COc1cccc(C2=N/C(=C\N(C)C)C(=O)O2)c1.
What is the InChIKey of (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
The InChIKey is LZFQMHVDVQZJFQ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15(2)8-11-13(16)18-12(14-11)9-5-4-6-10(7-9)17-3/h4-8H,1-3H3/b11-8-.
What are the key properties of (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
(4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one has a molecular weight of 246.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(dimethylaminomethylidene)-2-(3-methoxyphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 878739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).