3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole

C18H13NO3 — CID 11358270

IUPAC3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole
SMILESCOc1c(-c2cc(-c3ccccc3)on2)ccc2occc12
InChIInChI=1S/C18H13NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyLIDVCGVURBDYCI-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.76
Rot. Bonds3

About 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole

3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole (PubChem CID 11358270) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole
PubChem CID11358270
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole
SMILESCOc1c(-c2cc(-c3ccccc3)on2)ccc2occc12
InChIInChI=1S/C18H13NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyLIDVCGVURBDYCI-UHFFFAOYSA-N
XLogP4.76
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole?
The IUPAC name of 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole (CID 11358270) is 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole is COc1c(-c2cc(-c3ccccc3)on2)ccc2occc12.
What is the InChIKey of 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole?
The InChIKey is LIDVCGVURBDYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-20-18-13(7-8-16-14(18)9-10-21-16)15-11-17(22-19-15)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole?
3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole has a molecular weight of 291.31 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 11358270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).