5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde

C12H7NO3 — CID 169335702

IUPAC5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3cnoc3c2)o1
InChIInChI=1S/C12H7NO3/c14-7-10-3-4-11(15-10)8-1-2-9-6-13-16-12(9)5-8/h1-7H
InChIKeyXZINJUDWUSWMKB-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.90
Rot. Bonds2

About 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde

5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde (PubChem CID 169335702) has the molecular formula C12H7NO3 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
PubChem CID169335702
Molecular FormulaC12H7NO3
Molecular Weight213.19 g/mol
Exact Mass213.04
IUPAC Name5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3cnoc3c2)o1
InChIInChI=1S/C12H7NO3/c14-7-10-3-4-11(15-10)8-1-2-9-6-13-16-12(9)5-8/h1-7H
InChIKeyXZINJUDWUSWMKB-UHFFFAOYSA-N
XLogP2.90
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde
CID 165454352
5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
CID 169333831
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
CID 169334590
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde (CID 169335702) is 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3cnoc3c2)o1.
What is the InChIKey of 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde?
The InChIKey is XZINJUDWUSWMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3/c14-7-10-3-4-11(15-10)8-1-2-9-6-13-16-12(9)5-8/h1-7H.
What are the key properties of 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde?
5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde has a molecular weight of 213.19 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).