5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde

C16H13NO3 — CID 169334656

IUPAC5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde
SMILESCc1nc(-c2ccccc2-c2ccc(C=O)o2)oc1C
InChIInChI=1S/C16H13NO3/c1-10-11(2)19-16(17-10)14-6-4-3-5-13(14)15-8-7-12(9-18)20-15/h3-9H,1-2H3
InChIKeyBNYSQFWUMLUTPG-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.03
Rot. Bonds3

About 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde

5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169334656) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde
PubChem CID169334656
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde
SMILESCc1nc(-c2ccccc2-c2ccc(C=O)o2)oc1C
InChIInChI=1S/C16H13NO3/c1-10-11(2)19-16(17-10)14-6-4-3-5-13(14)15-8-7-12(9-18)20-15/h3-9H,1-2H3
InChIKeyBNYSQFWUMLUTPG-UHFFFAOYSA-N
XLogP4.03
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde 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-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde (CID 169334656) is 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde is Cc1nc(-c2ccccc2-c2ccc(C=O)o2)oc1C.
What is the InChIKey of 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is BNYSQFWUMLUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-11(2)19-16(17-10)14-6-4-3-5-13(14)15-8-7-12(9-18)20-15/h3-9H,1-2H3.
What are the key properties of 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde?
5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 267.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).