2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C14H16FN3O — CID 162760209

IUPAC2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1n2nc(-c3ccc(F)cn3)cc2COC1(C)C
InChIInChI=1S/C14H16FN3O/c1-9-14(2,3)19-8-11-6-13(17-18(9)11)12-5-4-10(15)7-16-12/h4-7,9H,8H2,1-3H3
InChIKeyAIIQSJPJJGPSLO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.95
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760209) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760209
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1n2nc(-c3ccc(F)cn3)cc2COC1(C)C
InChIInChI=1S/C14H16FN3O/c1-9-14(2,3)19-8-11-6-13(17-18(9)11)12-5-4-10(15)7-16-12/h4-7,9H,8H2,1-3H3
InChIKeyAIIQSJPJJGPSLO-UHFFFAOYSA-N
XLogP2.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760209) is 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is CC1n2nc(-c3ccc(F)cn3)cc2COC1(C)C.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is AIIQSJPJJGPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-14(2,3)19-8-11-6-13(17-18(9)11)12-5-4-10(15)7-16-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 261.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).