4-fluoro-7-methoxy-1,2-benzoxazole

C8H6FNO2 — CID 130063972

IUPAC4-fluoro-7-methoxy-1,2-benzoxazole
SMILESCOc1ccc(F)c2cnoc12
InChIInChI=1S/C8H6FNO2/c1-11-7-3-2-6(9)5-4-10-12-8(5)7/h2-4H,1H3
InChIKeyPMJPNFLZJGZARG-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.98
Rot. Bonds1

About 4-fluoro-7-methoxy-1,2-benzoxazole

4-fluoro-7-methoxy-1,2-benzoxazole (PubChem CID 130063972) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name4-fluoro-7-methoxy-1,2-benzoxazole
PubChem CID130063972
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name4-fluoro-7-methoxy-1,2-benzoxazole
SMILESCOc1ccc(F)c2cnoc12
InChIInChI=1S/C8H6FNO2/c1-11-7-3-2-6(9)5-4-10-12-8(5)7/h2-4H,1H3
InChIKeyPMJPNFLZJGZARG-UHFFFAOYSA-N
XLogP1.98
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-1,2-benzoxazole?
The IUPAC name of 4-fluoro-7-methoxy-1,2-benzoxazole (CID 130063972) is 4-fluoro-7-methoxy-1,2-benzoxazole.
What is the SMILES notation for 4-fluoro-7-methoxy-1,2-benzoxazole?
The canonical SMILES for 4-fluoro-7-methoxy-1,2-benzoxazole is COc1ccc(F)c2cnoc12.
What is the InChIKey of 4-fluoro-7-methoxy-1,2-benzoxazole?
The InChIKey is PMJPNFLZJGZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-11-7-3-2-6(9)5-4-10-12-8(5)7/h2-4H,1H3.
What are the key properties of 4-fluoro-7-methoxy-1,2-benzoxazole?
4-fluoro-7-methoxy-1,2-benzoxazole has a molecular weight of 167.14 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methoxy-1,2-benzoxazole is sourced from PubChem (CID 130063972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).