(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C13H14FN3O — CID 166940019

IUPAC(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2ccncc2F)nn2c1O[C@@H](C)CC2
InChIInChI=1S/C13H14FN3O/c1-8-4-6-17-13(18-8)9(2)12(16-17)10-3-5-15-7-11(10)14/h3,5,7-8H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyRHJNHBGLGSNJDH-QMMMGPOBSA-N
MW247.27 g/mol
LogP2.56
Rot. Bonds1

About (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166940019) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166940019
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2ccncc2F)nn2c1O[C@@H](C)CC2
InChIInChI=1S/C13H14FN3O/c1-8-4-6-17-13(18-8)9(2)12(16-17)10-3-5-15-7-11(10)14/h3,5,7-8H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyRHJNHBGLGSNJDH-QMMMGPOBSA-N
XLogP2.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166940019) is (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1c(-c2ccncc2F)nn2c1O[C@@H](C)CC2.
What is the InChIKey of (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is RHJNHBGLGSNJDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-4-6-17-13(18-8)9(2)12(16-17)10-3-5-15-7-11(10)14/h3,5,7-8H,4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 247.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166940019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).