4-fluoro-7-methyl-1,3-benzoxazol-2-amine

C8H7FN2O — CID 66644540

IUPAC4-fluoro-7-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc(F)c2nc(N)oc12
InChIInChI=1S/C8H7FN2O/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyMHHLZXRFYKBMJM-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.86
Rot. Bonds

About 4-fluoro-7-methyl-1,3-benzoxazol-2-amine

4-fluoro-7-methyl-1,3-benzoxazol-2-amine (PubChem CID 66644540) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-fluoro-7-methyl-1,3-benzoxazol-2-amine
PubChem CID66644540
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name4-fluoro-7-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc(F)c2nc(N)oc12
InChIInChI=1S/C8H7FN2O/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyMHHLZXRFYKBMJM-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 4-fluoro-7-methyl-1,3-benzoxazol-2-amine (CID 66644540) is 4-fluoro-7-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-fluoro-7-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-fluoro-7-methyl-1,3-benzoxazol-2-amine is Cc1ccc(F)c2nc(N)oc12.
What is the InChIKey of 4-fluoro-7-methyl-1,3-benzoxazol-2-amine?
The InChIKey is MHHLZXRFYKBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 4-fluoro-7-methyl-1,3-benzoxazol-2-amine?
4-fluoro-7-methyl-1,3-benzoxazol-2-amine has a molecular weight of 166.15 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 66644540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).