[5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate

C21H15NO7 — CID 644457

IUPAC[5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)oc1COC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C21H15NO7/c23-20(16-8-4-10-25-16)27-12-15-18(13-28-21(24)17-9-5-11-26-17)29-19(22-15)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyOFGIAMSGQHGDRZ-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.24
Rot. Bonds7

About [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate

[5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate (PubChem CID 644457) has the molecular formula C21H15NO7 and a molecular weight of 393.35 g/mol. Its IUPAC name is [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate
PubChem CID644457
Molecular FormulaC21H15NO7
Molecular Weight393.35 g/mol
Exact Mass393.08
IUPAC Name[5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)oc1COC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C21H15NO7/c23-20(16-8-4-10-25-16)27-12-15-18(13-28-21(24)17-9-5-11-26-17)29-19(22-15)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyOFGIAMSGQHGDRZ-UHFFFAOYSA-N
XLogP4.24
TPSA104.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate?
The IUPAC name of [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate (CID 644457) is [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate?
The canonical SMILES for [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate is O=C(OCc1nc(-c2ccccc2)oc1COC(=O)c1ccco1)c1ccco1.
What is the InChIKey of [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate?
The InChIKey is OFGIAMSGQHGDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO7/c23-20(16-8-4-10-25-16)27-12-15-18(13-28-21(24)17-9-5-11-26-17)29-19(22-15)14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate?
[5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate has a molecular weight of 393.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-carbonyloxymethyl)-2-phenyl-1,3-oxazol-4-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 644457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).