4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one

C17H22N2O5 — CID 70460908

IUPAC4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one
SMILESCCN(C=C1C(=O)ON=C1c1cc(OC)c(OC)c(OC)c1)CC
InChIInChI=1S/C17H22N2O5/c1-6-19(7-2)10-12-15(18-24-17(12)20)11-8-13(21-3)16(23-5)14(9-11)22-4/h8-10H,6-7H2,1-5H3
InChIKeyWFZCLYYJOQJCKK-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.20
Rot. Bonds7

About 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one

4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one (PubChem CID 70460908) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one
PubChem CID70460908
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one
SMILESCCN(C=C1C(=O)ON=C1c1cc(OC)c(OC)c(OC)c1)CC
InChIInChI=1S/C17H22N2O5/c1-6-19(7-2)10-12-15(18-24-17(12)20)11-8-13(21-3)16(23-5)14(9-11)22-4/h8-10H,6-7H2,1-5H3
InChIKeyWFZCLYYJOQJCKK-UHFFFAOYSA-N
XLogP2.20
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one
CID 70461164
(4Z)-3-(chloromethyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 96882215
(4Z)-3-(3,4-dimethoxyphenyl)-4-[(4-ethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 1280996
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 685684
(4Z)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126085063
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
(4Z)-4-[[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2180993
2-[2-iodo-6-methoxy-4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetic acid
CID 126095539
[2-methoxy-4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]-6-prop-2-enylphenyl] benzenesulfonate
CID 126084475
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
(4Z)-4-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126083942
(4E)-3-methyl-4-[(2,4,6-trimethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 177461741

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one?
The IUPAC name of 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one (CID 70460908) is 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one.
What is the SMILES notation for 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one?
The canonical SMILES for 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one is CCN(C=C1C(=O)ON=C1c1cc(OC)c(OC)c(OC)c1)CC.
What is the InChIKey of 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one?
The InChIKey is WFZCLYYJOQJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-6-19(7-2)10-12-15(18-24-17(12)20)11-8-13(21-3)16(23-5)14(9-11)22-4/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one?
4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one has a molecular weight of 334.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 70460908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).