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

C19H14NO6- — CID 9313319

IUPAC2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3OCC(=O)[O-])C(=O)O2)c1
InChIInChI=1S/C19H15NO6/c1-24-14-7-4-6-13(9-14)18-20-15(19(23)26-18)10-12-5-2-3-8-16(12)25-11-17(21)22/h2-10H,11H2,1H3,(H,21,22)/p-1/b15-10-
InChIKeyKBNAMVNUDGDQFC-GDNBJRDFSA-M
MW352.32 g/mol
LogP1.17
Rot. Bonds6

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

2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate (PubChem CID 9313319) has the molecular formula C19H14NO6- and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
PubChem CID9313319
Molecular FormulaC19H14NO6-
Molecular Weight352.32 g/mol
Exact Mass352.08
IUPAC Name2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3OCC(=O)[O-])C(=O)O2)c1
InChIInChI=1S/C19H15NO6/c1-24-14-7-4-6-13(9-14)18-20-15(19(23)26-18)10-12-5-2-3-8-16(12)25-11-17(21)22/h2-10H,11H2,1H3,(H,21,22)/p-1/b15-10-
InChIKeyKBNAMVNUDGDQFC-GDNBJRDFSA-M
XLogP1.17
TPSA97.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(Z)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
CID 9312908
(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2180782
2-[2-[(Z)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetic acid
CID 9312909
(4Z)-4-[(2-iodophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 55346702
(4E)-2-(3-methoxyphenyl)-4-[(3-methoxy-2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6488544
(4Z)-2-(3-methoxyphenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6079376
ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 7033212
2-[2-methoxy-4-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
CID 9313304
4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4280278
(4E)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 1048887
(4Z)-2-(3-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2687417
(4Z)-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6526771

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate (CID 9313319) is 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate is COc1cccc(C2=N/C(=C\c3ccccc3OCC(=O)[O-])C(=O)O2)c1.
What is the InChIKey of 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate?
The InChIKey is KBNAMVNUDGDQFC-GDNBJRDFSA-M. The full InChI is InChI=1S/C19H15NO6/c1-24-14-7-4-6-13(9-14)18-20-15(19(23)26-18)10-12-5-2-3-8-16(12)25-11-17(21)22/h2-10H,11H2,1H3,(H,21,22)/p-1/b15-10-.
What are the key properties of 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate has a molecular weight of 352.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 9313319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).