6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one

C10H10FNO2 — CID 89210533

IUPAC6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c1-6(2)12-8-4-3-7(11)5-9(8)14-10(12)13/h3-6H,1-2H3
InChIKeyFQUJKSRIAOKAIU-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.31
Rot. Bonds1

About 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one

6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 89210533) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID89210533
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c1-6(2)12-8-4-3-7(11)5-9(8)14-10(12)13/h3-6H,1-2H3
InChIKeyFQUJKSRIAOKAIU-UHFFFAOYSA-N
XLogP2.31
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50796699
6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 82341318
1-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 122697151
1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
CID 50820635
3-propan-2-yl-6-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazol-2-one
CID 53139360
5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 59379708
3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 122696847
2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 11680081
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-oxo-3-propan-2-yl-1,3-benzoxazole-6-sulfonamide
CID 98137628
5-(1-aminopropan-2-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117340798
methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one (CID 89210533) is 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is FQUJKSRIAOKAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(2)12-8-4-3-7(11)5-9(8)14-10(12)13/h3-6H,1-2H3.
What are the key properties of 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one?
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 195.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 89210533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).