3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole

C14H10FNO2 — CID 13015730

IUPAC3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2c(-c3ccccc3F)noc2c1
InChIInChI=1S/C14H10FNO2/c1-17-9-6-7-11-13(8-9)18-16-14(11)10-4-2-3-5-12(10)15/h2-8H,1H3
InChIKeyJGRPDLFAXRFSFX-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.64
Rot. Bonds2

About 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole

3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole (PubChem CID 13015730) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole
PubChem CID13015730
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2c(-c3ccccc3F)noc2c1
InChIInChI=1S/C14H10FNO2/c1-17-9-6-7-11-13(8-9)18-16-14(11)10-4-2-3-5-12(10)15/h2-8H,1H3
InChIKeyJGRPDLFAXRFSFX-UHFFFAOYSA-N
XLogP3.64
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole?
The IUPAC name of 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole (CID 13015730) is 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole.
What is the SMILES notation for 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole?
The canonical SMILES for 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole is COc1ccc2c(-c3ccccc3F)noc2c1.
What is the InChIKey of 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole?
The InChIKey is JGRPDLFAXRFSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-17-9-6-7-11-13(8-9)18-16-14(11)10-4-2-3-5-12(10)15/h2-8H,1H3.
What are the key properties of 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole?
3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole has a molecular weight of 243.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-methoxy-1,2-benzoxazole is sourced from PubChem (CID 13015730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).