5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole

C13H7F2NO — CID 18357602

IUPAC5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
SMILESFc1ccc(-c2noc3ccc(F)cc23)cc1
InChIInChI=1S/C13H7F2NO/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)17-16-13/h1-7H
InChIKeyXEXQJMBDQNIUPO-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.77
Rot. Bonds1

About 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole

5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole (PubChem CID 18357602) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
PubChem CID18357602
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
SMILESFc1ccc(-c2noc3ccc(F)cc23)cc1
InChIInChI=1S/C13H7F2NO/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)17-16-13/h1-7H
InChIKeyXEXQJMBDQNIUPO-UHFFFAOYSA-N
XLogP3.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-methylsulfanyl-1,2-benzoxazole
CID 123369896
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
CID 142050356
2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide
CID 39347761
5-(5-chloro-1,2-benzoxazol-3-yl)pyrimidin-2-amine
CID 13333152
3-(4-bromophenyl)-5-nitro-1,2-benzoxazole
CID 803669
6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole
CID 58830628
3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one
CID 159933905
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
N'-(5-fluoro-1,2-benzoxazol-3-yl)propane-1,3-diamine
CID 83834388
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole?
The IUPAC name of 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole (CID 18357602) is 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole.
What is the SMILES notation for 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole?
The canonical SMILES for 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole is Fc1ccc(-c2noc3ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole?
The InChIKey is XEXQJMBDQNIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)17-16-13/h1-7H.
What are the key properties of 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole?
5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole has a molecular weight of 231.20 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole is sourced from PubChem (CID 18357602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).