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

C14H16FN3O — CID 166940136

IUPAC(5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCCc1c(-c2ccncc2F)nn2c1O[C@H](C)CC2
InChIInChI=1S/C14H16FN3O/c1-3-10-13(11-4-6-16-8-12(11)15)17-18-7-5-9(2)19-14(10)18/h4,6,8-9H,3,5,7H2,1-2H3/t9-/m1/s1
InChIKeyNJNVNPIZHLXRGU-SECBINFHSA-N
MW261.30 g/mol
LogP2.82
Rot. Bonds2

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

(5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166940136) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166940136
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCCc1c(-c2ccncc2F)nn2c1O[C@H](C)CC2
InChIInChI=1S/C14H16FN3O/c1-3-10-13(11-4-6-16-8-12(11)15)17-18-7-5-9(2)19-14(10)18/h4,6,8-9H,3,5,7H2,1-2H3/t9-/m1/s1
InChIKeyNJNVNPIZHLXRGU-SECBINFHSA-N
XLogP2.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166940136) is (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CCc1c(-c2ccncc2F)nn2c1O[C@H](C)CC2.
What is the InChIKey of (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is NJNVNPIZHLXRGU-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-10-13(11-4-6-16-8-12(11)15)17-18-7-5-9(2)19-14(10)18/h4,6,8-9H,3,5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 261.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166940136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).