(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C17H22FN5O3 — CID 156508599

IUPAC(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OC[C@H](OCc1cnn3c1OC[C@H](N1CC(F)C1)C3)C2
InChIInChI=1S/C17H22FN5O3/c1-11-2-19-23-7-15(10-26-16(11)23)24-8-12-3-20-22-6-14(9-25-17(12)22)21-4-13(18)5-21/h2-3,13-15H,4-10H2,1H3/t14-,15-/m1/s1
InChIKeyKNMSYLHKCLWTHT-HUUCEWRRSA-N
MW363.39 g/mol
LogP0.78
Rot. Bonds4

About (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 156508599) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID156508599
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OC[C@H](OCc1cnn3c1OC[C@H](N1CC(F)C1)C3)C2
InChIInChI=1S/C17H22FN5O3/c1-11-2-19-23-7-15(10-26-16(11)23)24-8-12-3-20-22-6-14(9-25-17(12)22)21-4-13(18)5-21/h2-3,13-15H,4-10H2,1H3/t14-,15-/m1/s1
InChIKeyKNMSYLHKCLWTHT-HUUCEWRRSA-N
XLogP0.78
TPSA66.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 156508599) is (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cnn2c1OC[C@H](OCc1cnn3c1OC[C@H](N1CC(F)C1)C3)C2.
What is the InChIKey of (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is KNMSYLHKCLWTHT-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-11-2-19-23-7-15(10-26-16(11)23)24-8-12-3-20-22-6-14(9-25-17(12)22)21-4-13(18)5-21/h2-3,13-15H,4-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 363.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 156508599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).