5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole

C14H9BrFNO2 — CID 14771604

IUPAC5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole
SMILESCc1noc2ccc(Oc3ccc(Br)cc3F)cc12
InChIInChI=1S/C14H9BrFNO2/c1-8-11-7-10(3-5-13(11)19-17-8)18-14-4-2-9(15)6-12(14)16/h2-7H,1H3
InChIKeyRFSAJVUENJVERU-UHFFFAOYSA-N
MW322.13 g/mol
LogP4.83
Rot. Bonds2

About 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole

5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole (PubChem CID 14771604) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole
PubChem CID14771604
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole
SMILESCc1noc2ccc(Oc3ccc(Br)cc3F)cc12
InChIInChI=1S/C14H9BrFNO2/c1-8-11-7-10(3-5-13(11)19-17-8)18-14-4-2-9(15)6-12(14)16/h2-7H,1H3
InChIKeyRFSAJVUENJVERU-UHFFFAOYSA-N
XLogP4.83
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole?
The IUPAC name of 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole (CID 14771604) is 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole is Cc1noc2ccc(Oc3ccc(Br)cc3F)cc12.
What is the InChIKey of 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole?
The InChIKey is RFSAJVUENJVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2/c1-8-11-7-10(3-5-13(11)19-17-8)18-14-4-2-9(15)6-12(14)16/h2-7H,1H3.
What are the key properties of 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole?
5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole has a molecular weight of 322.13 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenoxy)-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 14771604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).