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

C19H15NO5 — CID 695240

IUPAC[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
SMILESCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(C)=O
InChIInChI=1S/C19H15NO5/c1-12(21)24-16-9-8-13(11-17(16)23-2)10-15-19(22)25-18(20-15)14-6-4-3-5-7-14/h3-11H,1-2H3/b15-10-
InChIKeyWZSKLTVIGWVEKR-GDNBJRDFSA-N
MW337.33 g/mol
LogP2.96
Rot. Bonds4

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

[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate (PubChem CID 695240) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
PubChem CID695240
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
SMILESCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(C)=O
InChIInChI=1S/C19H15NO5/c1-12(21)24-16-9-8-13(11-17(16)23-2)10-15-19(22)25-18(20-15)14-6-4-3-5-7-14/h3-11H,1-2H3/b15-10-
InChIKeyWZSKLTVIGWVEKR-GDNBJRDFSA-N
XLogP2.96
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate (CID 695240) is [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate is COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate?
The InChIKey is WZSKLTVIGWVEKR-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H15NO5/c1-12(21)24-16-9-8-13(11-17(16)23-2)10-15-19(22)25-18(20-15)14-6-4-3-5-7-14/h3-11H,1-2H3/b15-10-.
What are the key properties of [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate?
[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate has a molecular weight of 337.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate is sourced from PubChem (CID 695240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).