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

C20H18N2O4 — CID 658964

IUPAC[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate
SMILESCCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1OC
InChIInChI=1S/C20H18N2O4/c1-3-18(23)25-20-16(13-21-15-11-7-8-12-17(15)24-2)22-19(26-20)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b21-13+
InChIKeyBFCLPUDDRHUDRX-FYJGNVAPSA-N
MW350.37 g/mol
LogP4.42
Rot. Bonds6

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

[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate (PubChem CID 658964) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate
PubChem CID658964
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate
SMILESCCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1OC
InChIInChI=1S/C20H18N2O4/c1-3-18(23)25-20-16(13-21-15-11-7-8-12-17(15)24-2)22-19(26-20)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b21-13+
InChIKeyBFCLPUDDRHUDRX-FYJGNVAPSA-N
XLogP4.42
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.42
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-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate?
The IUPAC name of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate (CID 658964) is [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate.
What is the SMILES notation for [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate?
The canonical SMILES for [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate is CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1OC.
What is the InChIKey of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate?
The InChIKey is BFCLPUDDRHUDRX-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-18(23)25-20-16(13-21-15-11-7-8-12-17(15)24-2)22-19(26-20)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b21-13+.
What are the key properties of [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate?
[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate has a molecular weight of 350.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] propanoate is sourced from PubChem (CID 658964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).