benzo[g][1,3]benzoxazole-2-carbaldehyde

C12H7NO2 — CID 121009106

IUPACbenzo[g][1,3]benzoxazole-2-carbaldehyde
SMILESO=Cc1nc2ccc3ccccc3c2o1
InChIInChI=1S/C12H7NO2/c14-7-11-13-10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-7H
InChIKeyGJGBAICEUHHRTH-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.79
Rot. Bonds1

About benzo[g][1,3]benzoxazole-2-carbaldehyde

benzo[g][1,3]benzoxazole-2-carbaldehyde (PubChem CID 121009106) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is benzo[g][1,3]benzoxazole-2-carbaldehyde.

Molecular Properties

Compound Namebenzo[g][1,3]benzoxazole-2-carbaldehyde
PubChem CID121009106
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Namebenzo[g][1,3]benzoxazole-2-carbaldehyde
SMILESO=Cc1nc2ccc3ccccc3c2o1
InChIInChI=1S/C12H7NO2/c14-7-11-13-10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-7H
InChIKeyGJGBAICEUHHRTH-UHFFFAOYSA-N
XLogP2.79
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.79
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-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
2-oxobenzo[h]chromene-4-carbaldehyde
CID 11989493
2-formyl-1,3-benzoxazole-7-sulfonamide
CID 131547174
2-(2-chloroethyl)benzo[g][1,3]benzoxazole
CID 14072483
benzo[f]quinoline-3-carbaldehyde
CID 102020467
naphtho[1,2-g][1]benzofuran-11-carbaldehyde
CID 14770244
pyrano[3,2-c]isoquinolin-2-one
CID 44521863
1-(hydroxymethyl)naphthalene-2-carbaldehyde
CID 21242059
3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
CID 67403426
2-amino-4-oxobenzo[h]chromene-3-carbaldehyde
CID 164670391
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279

Frequently Asked Questions

What is the IUPAC name of benzo[g][1,3]benzoxazole-2-carbaldehyde?
The IUPAC name of benzo[g][1,3]benzoxazole-2-carbaldehyde (CID 121009106) is benzo[g][1,3]benzoxazole-2-carbaldehyde.
What is the SMILES notation for benzo[g][1,3]benzoxazole-2-carbaldehyde?
The canonical SMILES for benzo[g][1,3]benzoxazole-2-carbaldehyde is O=Cc1nc2ccc3ccccc3c2o1.
What is the InChIKey of benzo[g][1,3]benzoxazole-2-carbaldehyde?
The InChIKey is GJGBAICEUHHRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-7-11-13-10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-7H.
What are the key properties of benzo[g][1,3]benzoxazole-2-carbaldehyde?
benzo[g][1,3]benzoxazole-2-carbaldehyde has a molecular weight of 197.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,3]benzoxazole-2-carbaldehyde is sourced from PubChem (CID 121009106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).