7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole

C14H8N2O2 — CID 166649819

IUPAC7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole
SMILESc1cc(-c2cccc3ncoc23)c2oncc2c1
InChIInChI=1S/C14H8N2O2/c1-3-9-7-16-18-13(9)10(4-1)11-5-2-6-12-14(11)17-8-15-12/h1-8H
InChIKeyYAAFUSDENPAJLQ-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.64
Rot. Bonds1

About 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole

7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole (PubChem CID 166649819) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole
PubChem CID166649819
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole
SMILESc1cc(-c2cccc3ncoc23)c2oncc2c1
InChIInChI=1S/C14H8N2O2/c1-3-9-7-16-18-13(9)10(4-1)11-5-2-6-12-14(11)17-8-15-12/h1-8H
InChIKeyYAAFUSDENPAJLQ-UHFFFAOYSA-N
XLogP3.64
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine
CID 117289183
7-fluoro-1,2-benzoxazole
CID 54539975
7-bromo-1,3-benzoxazole
CID 53408472
7-(2-methylpyrazol-3-yl)-1,3-benzoxazole
CID 166273345
[1,3]oxazolo[5,4-a]acridine
CID 176655511
benzo[g][1,2]benzoxazole
CID 11030249
7-[6-(6-isoquinolin-6-yltriphenylen-2-yl)triphenylen-1-yl]-1,3-benzoxazole
CID 137458524
1,3-benzoxazole-7-carboxylic acid
CID 18355310
7-methyl-[1,2]oxazolo[5,4-c]pyridine
CID 118899227
7-[(E)-prop-1-enyl]-1,3-benzoxazole
CID 90277918
1,3-benzoxazole;naphthalene
CID 69020592
7-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117308311

Frequently Asked Questions

What is the IUPAC name of 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole?
The IUPAC name of 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole (CID 166649819) is 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole?
The canonical SMILES for 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole is c1cc(-c2cccc3ncoc23)c2oncc2c1.
What is the InChIKey of 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole?
The InChIKey is YAAFUSDENPAJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c1-3-9-7-16-18-13(9)10(4-1)11-5-2-6-12-14(11)17-8-15-12/h1-8H.
What are the key properties of 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole?
7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole has a molecular weight of 236.23 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-benzoxazol-7-yl)-1,3-benzoxazole is sourced from PubChem (CID 166649819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).