2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine

C8H10FN3O — CID 169118930

IUPAC2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine
SMILESCC(C)c1cnc2c(n1)NC(F)O2
InChIInChI=1S/C8H10FN3O/c1-4(2)5-3-10-7-6(11-5)12-8(9)13-7/h3-4,8H,1-2H3,(H,11,12)
InChIKeyLNCPRWKZVIDBMS-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.66
Rot. Bonds1

About 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine

2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine (PubChem CID 169118930) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine
PubChem CID169118930
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine
SMILESCC(C)c1cnc2c(n1)NC(F)O2
InChIInChI=1S/C8H10FN3O/c1-4(2)5-3-10-7-6(11-5)12-8(9)13-7/h3-4,8H,1-2H3,(H,11,12)
InChIKeyLNCPRWKZVIDBMS-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine?
The IUPAC name of 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine (CID 169118930) is 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine.
What is the SMILES notation for 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine?
The canonical SMILES for 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine is CC(C)c1cnc2c(n1)NC(F)O2.
What is the InChIKey of 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine?
The InChIKey is LNCPRWKZVIDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-4(2)5-3-10-7-6(11-5)12-8(9)13-7/h3-4,8H,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine?
2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine has a molecular weight of 183.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-propan-2-yl-2,3-dihydro-[1,3]oxazolo[4,5-b]pyrazine is sourced from PubChem (CID 169118930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).