5-fluoro-2-methyl-1,3-benzoxazole

C8H6FNO — CID 2769350

IUPAC5-fluoro-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(F)ccc2o1
InChIInChI=1S/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKeyGYRZYFSJULFMCS-UHFFFAOYSA-N
MW151.14 g/mol
LogP2.28
Rot. Bonds

About 5-fluoro-2-methyl-1,3-benzoxazole

5-fluoro-2-methyl-1,3-benzoxazole (PubChem CID 2769350) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-methyl-1,3-benzoxazole
PubChem CID2769350
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name5-fluoro-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(F)ccc2o1
InChIInChI=1S/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKeyGYRZYFSJULFMCS-UHFFFAOYSA-N
XLogP2.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-methyl-1,3-benzoxazole (CID 2769350) is 5-fluoro-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-methyl-1,3-benzoxazole is Cc1nc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-2-methyl-1,3-benzoxazole?
The InChIKey is GYRZYFSJULFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3.
What are the key properties of 5-fluoro-2-methyl-1,3-benzoxazole?
5-fluoro-2-methyl-1,3-benzoxazole has a molecular weight of 151.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 2769350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).