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

C16H13NO5 — CID 16870014

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)c3ccco3)no2)cc1
InChIInChI=1S/C16H13NO5/c1-19-13-6-4-11(5-7-13)15-9-12(17-22-15)10-21-16(18)14-3-2-8-20-14/h2-9H,10H2,1H3
InChIKeyUQDVHLXVQKHPTF-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.30
Rot. Bonds5

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

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate (PubChem CID 16870014) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate
PubChem CID16870014
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)c3ccco3)no2)cc1
InChIInChI=1S/C16H13NO5/c1-19-13-6-4-11(5-7-13)15-9-12(17-22-15)10-21-16(18)14-3-2-8-20-14/h2-9H,10H2,1H3
InChIKeyUQDVHLXVQKHPTF-UHFFFAOYSA-N
XLogP3.30
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate (CID 16870014) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate is COc1ccc(-c2cc(COC(=O)c3ccco3)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate?
The InChIKey is UQDVHLXVQKHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-19-13-6-4-11(5-7-13)15-9-12(17-22-15)10-21-16(18)14-3-2-8-20-14/h2-9H,10H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 16870014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).