[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate

C19H16N2O4 — CID 917296

IUPAC[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
SMILESCOc1cccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)c1
InChIInChI=1S/C19H16N2O4/c1-13(22)24-19-17(12-20-15-9-6-10-16(11-15)23-2)21-18(25-19)14-7-4-3-5-8-14/h3-12H,1-2H3/b20-12+
InChIKeyFTTVJIBKWZJJQK-UDWIEESQSA-N
MW336.35 g/mol
LogP4.03
Rot. Bonds5

About [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate

[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate (PubChem CID 917296) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
PubChem CID917296
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
SMILESCOc1cccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)c1
InChIInChI=1S/C19H16N2O4/c1-13(22)24-19-17(12-20-15-9-6-10-16(11-15)23-2)21-18(25-19)14-7-4-3-5-8-14/h3-12H,1-2H3/b20-12+
InChIKeyFTTVJIBKWZJJQK-UDWIEESQSA-N
XLogP4.03
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The IUPAC name of [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate (CID 917296) is [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate.
What is the SMILES notation for [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The canonical SMILES for [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate is COc1cccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The InChIKey is FTTVJIBKWZJJQK-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-13(22)24-19-17(12-20-15-9-6-10-16(11-15)23-2)21-18(25-19)14-7-4-3-5-8-14/h3-12H,1-2H3/b20-12+.
What are the key properties of [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate has a molecular weight of 336.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate is sourced from PubChem (CID 917296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).