2-(3-fluorophenyl)-1,3-benzoxazole

C13H8FNO — CID 11366215

IUPAC2-(3-fluorophenyl)-1,3-benzoxazole
SMILESFc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H8FNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
InChIKeyCVPWQTJXZQGYLA-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.63
Rot. Bonds1

About 2-(3-fluorophenyl)-1,3-benzoxazole

2-(3-fluorophenyl)-1,3-benzoxazole (PubChem CID 11366215) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,3-benzoxazole
PubChem CID11366215
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Name2-(3-fluorophenyl)-1,3-benzoxazole
SMILESFc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H8FNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
InChIKeyCVPWQTJXZQGYLA-UHFFFAOYSA-N
XLogP3.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-fluorophenyl)-1,3-benzoxazole (CID 11366215) is 2-(3-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-fluorophenyl)-1,3-benzoxazole is Fc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1,3-benzoxazole?
The InChIKey is CVPWQTJXZQGYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H.
What are the key properties of 2-(3-fluorophenyl)-1,3-benzoxazole?
2-(3-fluorophenyl)-1,3-benzoxazole has a molecular weight of 213.21 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 11366215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).