6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole

C17H14F2N2O2 — CID 158387133

IUPAC6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole
SMILESCc1cc2c(C)noc2cc1F.Cc1noc2cc(F)ccc12
InChIInChI=1S/C9H8FNO.C8H6FNO/c1-5-3-7-6(2)11-12-9(7)4-8(5)10;1-5-7-3-2-6(9)4-8(7)11-10-5/h3-4H,1-2H3;2-4H,1H3
InChIKeyGWMRRBKHWUAJTH-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.86
Rot. Bonds

About 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole

6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole (PubChem CID 158387133) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole
PubChem CID158387133
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole
SMILESCc1cc2c(C)noc2cc1F.Cc1noc2cc(F)ccc12
InChIInChI=1S/C9H8FNO.C8H6FNO/c1-5-3-7-6(2)11-12-9(7)4-8(5)10;1-5-7-3-2-6(9)4-8(7)11-10-5/h3-4H,1-2H3;2-4H,1H3
InChIKeyGWMRRBKHWUAJTH-UHFFFAOYSA-N
XLogP4.86
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole (CID 158387133) is 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole is Cc1cc2c(C)noc2cc1F.Cc1noc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole?
The InChIKey is GWMRRBKHWUAJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO.C8H6FNO/c1-5-3-7-6(2)11-12-9(7)4-8(5)10;1-5-7-3-2-6(9)4-8(7)11-10-5/h3-4H,1-2H3;2-4H,1H3.
What are the key properties of 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole?
6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole has a molecular weight of 316.31 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 158387133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).