benzo[g][1,3]benzoxazole

C11H7NO — CID 15132610

IUPACbenzo[g][1,3]benzoxazole
SMILESc1ccc2c(c1)ccc1ncoc12
InChIInChI=1S/C11H7NO/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-7H
InChIKeyBVVBQOJNXLFIIG-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.98
Rot. Bonds

About benzo[g][1,3]benzoxazole

benzo[g][1,3]benzoxazole (PubChem CID 15132610) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is benzo[g][1,3]benzoxazole.

Molecular Properties

Compound Namebenzo[g][1,3]benzoxazole
PubChem CID15132610
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Namebenzo[g][1,3]benzoxazole
SMILESc1ccc2c(c1)ccc1ncoc12
InChIInChI=1S/C11H7NO/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-7H
InChIKeyBVVBQOJNXLFIIG-UHFFFAOYSA-N
XLogP2.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[g][1,3]benzoxazole?
The IUPAC name of benzo[g][1,3]benzoxazole (CID 15132610) is benzo[g][1,3]benzoxazole.
What is the SMILES notation for benzo[g][1,3]benzoxazole?
The canonical SMILES for benzo[g][1,3]benzoxazole is c1ccc2c(c1)ccc1ncoc12.
What is the InChIKey of benzo[g][1,3]benzoxazole?
The InChIKey is BVVBQOJNXLFIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-7H.
What are the key properties of benzo[g][1,3]benzoxazole?
benzo[g][1,3]benzoxazole has a molecular weight of 169.18 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,3]benzoxazole is sourced from PubChem (CID 15132610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).