6-ethyl-1,3-benzoxazole-2-carbaldehyde

C10H9NO2 — CID 130870252

IUPAC6-ethyl-1,3-benzoxazole-2-carbaldehyde
SMILESCCc1ccc2nc(C=O)oc2c1
InChIInChI=1S/C10H9NO2/c1-2-7-3-4-8-9(5-7)13-10(6-12)11-8/h3-6H,2H2,1H3
InChIKeyVFBOWBSFRYQJLM-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.20
Rot. Bonds2

About 6-ethyl-1,3-benzoxazole-2-carbaldehyde

6-ethyl-1,3-benzoxazole-2-carbaldehyde (PubChem CID 130870252) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-ethyl-1,3-benzoxazole-2-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-1,3-benzoxazole-2-carbaldehyde
PubChem CID130870252
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6-ethyl-1,3-benzoxazole-2-carbaldehyde
SMILESCCc1ccc2nc(C=O)oc2c1
InChIInChI=1S/C10H9NO2/c1-2-7-3-4-8-9(5-7)13-10(6-12)11-8/h3-6H,2H2,1H3
InChIKeyVFBOWBSFRYQJLM-UHFFFAOYSA-N
XLogP2.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1,3-benzoxazole-2-carbaldehyde
CID 82415216
2-bromo-1-(6-ethyl-1,3-benzoxazol-2-yl)ethanone
CID 131325415
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
2-chloro-4-ethylbenzaldehyde
CID 14687915
N-ethyl-N'-methyl-N'-[(2-methyl-1,3-benzoxazol-6-yl)methyl]ethane-1,2-diamine
CID 115205939
6-bromo-5-fluoro-1,3-benzoxazole-2-carbaldehyde
CID 82386057
1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine
CID 82357595
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-benzoxazole-2-carbaldehyde?
The IUPAC name of 6-ethyl-1,3-benzoxazole-2-carbaldehyde (CID 130870252) is 6-ethyl-1,3-benzoxazole-2-carbaldehyde.
What is the SMILES notation for 6-ethyl-1,3-benzoxazole-2-carbaldehyde?
The canonical SMILES for 6-ethyl-1,3-benzoxazole-2-carbaldehyde is CCc1ccc2nc(C=O)oc2c1.
What is the InChIKey of 6-ethyl-1,3-benzoxazole-2-carbaldehyde?
The InChIKey is VFBOWBSFRYQJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-7-3-4-8-9(5-7)13-10(6-12)11-8/h3-6H,2H2,1H3.
What are the key properties of 6-ethyl-1,3-benzoxazole-2-carbaldehyde?
6-ethyl-1,3-benzoxazole-2-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-benzoxazole-2-carbaldehyde is sourced from PubChem (CID 130870252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).