ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate

C20H17NO5 — CID 7033212

IUPACethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H17NO5/c1-2-24-18(22)13-25-17-11-7-6-10-15(17)12-16-20(23)26-19(21-16)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3/b16-12-
InChIKeyMMPGASDKNMUXQW-VBKFSLOCSA-N
MW351.36 g/mol
LogP2.97
Rot. Bonds6

About ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate

ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate (PubChem CID 7033212) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
PubChem CID7033212
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Nameethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H17NO5/c1-2-24-18(22)13-25-17-11-7-6-10-15(17)12-16-20(23)26-19(21-16)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3/b16-12-
InChIKeyMMPGASDKNMUXQW-VBKFSLOCSA-N
XLogP2.97
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate with MolForge

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Related Compounds

(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
2-[2-[(Z)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetic acid
CID 9312909
(4Z)-2-(4-phenylphenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665303
(4Z)-4-[(2-heptoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5285236
2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4232998
2-[2-[(Z)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
CID 9312908
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564
ethyl 2-[2-chloro-6-methoxy-4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 71832592
(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 781961
(4Z)-4-[(2-ethoxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6488534
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
[2-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzoate
CID 3648862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate (CID 7033212) is ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate is CCOC(=O)COc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O.
What is the InChIKey of ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate?
The InChIKey is MMPGASDKNMUXQW-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H17NO5/c1-2-24-18(22)13-25-17-11-7-6-10-15(17)12-16-20(23)26-19(21-16)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3/b16-12-.
What are the key properties of ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate?
ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate has a molecular weight of 351.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 7033212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).