furo[2,3-e][1,2]benzoxazole

C9H5NO2 — CID 57375713

IUPACfuro[2,3-e][1,2]benzoxazole
SMILESc1cc2ccc3oncc3c2o1
InChIInChI=1S/C9H5NO2/c1-2-8-7(5-10-12-8)9-6(1)3-4-11-9/h1-5H
InChIKeyRMSXXPDDXINLRM-UHFFFAOYSA-N
MW159.14 g/mol
LogP2.57
Rot. Bonds

About furo[2,3-e][1,2]benzoxazole

furo[2,3-e][1,2]benzoxazole (PubChem CID 57375713) has the molecular formula C9H5NO2 and a molecular weight of 159.14 g/mol. Its IUPAC name is furo[2,3-e][1,2]benzoxazole.

Molecular Properties

Compound Namefuro[2,3-e][1,2]benzoxazole
PubChem CID57375713
Molecular FormulaC9H5NO2
Molecular Weight159.14 g/mol
Exact Mass159.03
IUPAC Namefuro[2,3-e][1,2]benzoxazole
SMILESc1cc2ccc3oncc3c2o1
InChIInChI=1S/C9H5NO2/c1-2-8-7(5-10-12-8)9-6(1)3-4-11-9/h1-5H
InChIKeyRMSXXPDDXINLRM-UHFFFAOYSA-N
XLogP2.57
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furo[2,3-e][1,2]benzoxazole?
The IUPAC name of furo[2,3-e][1,2]benzoxazole (CID 57375713) is furo[2,3-e][1,2]benzoxazole.
What is the SMILES notation for furo[2,3-e][1,2]benzoxazole?
The canonical SMILES for furo[2,3-e][1,2]benzoxazole is c1cc2ccc3oncc3c2o1.
What is the InChIKey of furo[2,3-e][1,2]benzoxazole?
The InChIKey is RMSXXPDDXINLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO2/c1-2-8-7(5-10-12-8)9-6(1)3-4-11-9/h1-5H.
What are the key properties of furo[2,3-e][1,2]benzoxazole?
furo[2,3-e][1,2]benzoxazole has a molecular weight of 159.14 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furo[2,3-e][1,2]benzoxazole is sourced from PubChem (CID 57375713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).