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

C18H14N2O3 — CID 915860

IUPAC[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate
SMILESCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-13(21)22-18-16(12-19-15-10-6-3-7-11-15)20-17(23-18)14-8-4-2-5-9-14/h2-12H,1H3/b19-12+
InChIKeyVXKKMMKQCRPJRL-XDHOZWIPSA-N
MW306.32 g/mol
LogP4.02
Rot. Bonds4

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

[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate (PubChem CID 915860) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate
PubChem CID915860
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate
SMILESCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-13(21)22-18-16(12-19-15-10-6-3-7-11-15)20-17(23-18)14-8-4-2-5-9-14/h2-12H,1H3/b19-12+
InChIKeyVXKKMMKQCRPJRL-XDHOZWIPSA-N
XLogP4.02
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate?
The IUPAC name of [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate (CID 915860) is [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate.
What is the SMILES notation for [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate?
The canonical SMILES for [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate is CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1.
What is the InChIKey of [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate?
The InChIKey is VXKKMMKQCRPJRL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-13(21)22-18-16(12-19-15-10-6-3-7-11-15)20-17(23-18)14-8-4-2-5-9-14/h2-12H,1H3/b19-12+.
What are the key properties of [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate?
[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate has a molecular weight of 306.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate is sourced from PubChem (CID 915860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).