3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one

C12H12FNO4 — CID 59907748

IUPAC3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
SMILESO=C(CC(O)CCF)n1c(=O)oc2ccccc21
InChIInChI=1S/C12H12FNO4/c13-6-5-8(15)7-11(16)14-9-3-1-2-4-10(9)18-12(14)17/h1-4,8,15H,5-7H2
InChIKeyRRRXWRKOPIGCTE-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.35
Rot. Bonds4

About 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one

3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one (PubChem CID 59907748) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
PubChem CID59907748
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
SMILESO=C(CC(O)CCF)n1c(=O)oc2ccccc21
InChIInChI=1S/C12H12FNO4/c13-6-5-8(15)7-11(16)14-9-3-1-2-4-10(9)18-12(14)17/h1-4,8,15H,5-7H2
InChIKeyRRRXWRKOPIGCTE-UHFFFAOYSA-N
XLogP1.35
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-benzoxazol-2-one
CID 101344654
3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
3-[(2R,3S)-2-ethenyl-3-hydroxyhept-6-enoyl]-1,3-benzoxazol-2-one
CID 139930642
3-(3-hydroxy-2-methylpent-4-enoyl)-1,3-benzoxazol-2-one
CID 69466374
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
3-[(2S)-2-methylpent-4-enoyl]-1,3-benzoxazol-2-one
CID 134945542
3-(2-ethylsulfanyl-3-hydroxy-2-methylpentanoyl)-1,3-benzoxazol-2-one
CID 70161300
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965388
3-[(E)-3-[3,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]-1,3-benzoxazol-2-one
CID 118176384
3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one
CID 142137603

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one (CID 59907748) is 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one is O=C(CC(O)CCF)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one?
The InChIKey is RRRXWRKOPIGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-6-5-8(15)7-11(16)14-9-3-1-2-4-10(9)18-12(14)17/h1-4,8,15H,5-7H2.
What are the key properties of 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one?
3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one has a molecular weight of 253.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 59907748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).