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

C13H14N2O2 — CID 2380062

IUPAC(4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\N(C)C)C(=O)O2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)12-14-11(8-15(2)3)13(16)17-12/h4-8H,1-3H3/b11-8-
InChIKeyCFEDQSBXLMNVQP-FLIBITNWSA-N
MW230.27 g/mol
LogP1.70
Rot. Bonds2

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

(4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one (PubChem CID 2380062) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one
PubChem CID2380062
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\N(C)C)C(=O)O2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)12-14-11(8-15(2)3)13(16)17-12/h4-8H,1-3H3/b11-8-
InChIKeyCFEDQSBXLMNVQP-FLIBITNWSA-N
XLogP1.70
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.70
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 (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one (CID 2380062) is (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C\N(C)C)C(=O)O2)cc1.
What is the InChIKey of (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is CFEDQSBXLMNVQP-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)12-14-11(8-15(2)3)13(16)17-12/h4-8H,1-3H3/b11-8-.
What are the key properties of (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(dimethylaminomethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 2380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).