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

C10H9NO2 — CID 131091388

IUPAC7-ethyl-1,3-benzoxazole-2-carbaldehyde
SMILESCCc1cccc2nc(C=O)oc12
InChIInChI=1S/C10H9NO2/c1-2-7-4-3-5-8-10(7)13-9(6-12)11-8/h3-6H,2H2,1H3
InChIKeyVANLVZNXNFIIMC-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.20
Rot. Bonds2

About 7-ethyl-1,3-benzoxazole-2-carbaldehyde

7-ethyl-1,3-benzoxazole-2-carbaldehyde (PubChem CID 131091388) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-ethyl-1,3-benzoxazole-2-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-1,3-benzoxazole-2-carbaldehyde
PubChem CID131091388
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name7-ethyl-1,3-benzoxazole-2-carbaldehyde
SMILESCCc1cccc2nc(C=O)oc12
InChIInChI=1S/C10H9NO2/c1-2-7-4-3-5-8-10(7)13-9(6-12)11-8/h3-6H,2H2,1H3
InChIKeyVANLVZNXNFIIMC-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

7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
2-formyl-1,3-benzoxazole-7-sulfonamide
CID 131547174
6-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 130870252
7-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130849135
[2-(3-oxopropyl)-1,3-benzoxazol-7-yl]methanesulfonic acid
CID 174735798
7-(chloromethyl)-1,3-benzoxazol-2-amine
CID 119016516
2-bromo-7-(bromomethyl)-1,3-benzoxazole
CID 118997386
7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde
CID 84663737

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-benzoxazole-2-carbaldehyde?
The IUPAC name of 7-ethyl-1,3-benzoxazole-2-carbaldehyde (CID 131091388) is 7-ethyl-1,3-benzoxazole-2-carbaldehyde.
What is the SMILES notation for 7-ethyl-1,3-benzoxazole-2-carbaldehyde?
The canonical SMILES for 7-ethyl-1,3-benzoxazole-2-carbaldehyde is CCc1cccc2nc(C=O)oc12.
What is the InChIKey of 7-ethyl-1,3-benzoxazole-2-carbaldehyde?
The InChIKey is VANLVZNXNFIIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-7-4-3-5-8-10(7)13-9(6-12)11-8/h3-6H,2H2,1H3.
What are the key properties of 7-ethyl-1,3-benzoxazole-2-carbaldehyde?
7-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 7-ethyl-1,3-benzoxazole-2-carbaldehyde is sourced from PubChem (CID 131091388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).