5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde

C14H11NO3 — CID 21220942

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde
SMILESCc1noc(C)c1-c1cc(C=O)c2occc2c1
InChIInChI=1S/C14H11NO3/c1-8-13(9(2)18-15-8)11-5-10-3-4-17-14(10)12(6-11)7-16/h3-7H,1-2H3
InChIKeyFUIIZMYPTASRFV-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.52
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde (PubChem CID 21220942) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde
PubChem CID21220942
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde
SMILESCc1noc(C)c1-c1cc(C=O)c2occc2c1
InChIInChI=1S/C14H11NO3/c1-8-13(9(2)18-15-8)11-5-10-3-4-17-14(10)12(6-11)7-16/h3-7H,1-2H3
InChIKeyFUIIZMYPTASRFV-UHFFFAOYSA-N
XLogP3.52
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde (CID 21220942) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde is Cc1noc(C)c1-c1cc(C=O)c2occc2c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde?
The InChIKey is FUIIZMYPTASRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-13(9(2)18-15-8)11-5-10-3-4-17-14(10)12(6-11)7-16/h3-7H,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 21220942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).