6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C15H19FN4O2 — CID 166904877

IUPAC6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OC[C@@H](CCc1cnn3c1OCC(F)C3)C2
InChIInChI=1S/C15H19FN4O2/c1-10-4-17-19-6-11(8-21-14(10)19)2-3-12-5-18-20-7-13(16)9-22-15(12)20/h4-5,11,13H,2-3,6-9H2,1H3/t11-,13?/m0/s1
InChIKeyMQWJUETVMGIUIX-AMGKYWFPSA-N
MW306.34 g/mol
LogP1.76
Rot. Bonds3

About 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166904877) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166904877
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OC[C@@H](CCc1cnn3c1OCC(F)C3)C2
InChIInChI=1S/C15H19FN4O2/c1-10-4-17-19-6-11(8-21-14(10)19)2-3-12-5-18-20-7-13(16)9-22-15(12)20/h4-5,11,13H,2-3,6-9H2,1H3/t11-,13?/m0/s1
InChIKeyMQWJUETVMGIUIX-AMGKYWFPSA-N
XLogP1.76
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-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 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166904877) is 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cnn2c1OC[C@@H](CCc1cnn3c1OCC(F)C3)C2.
What is the InChIKey of 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is MQWJUETVMGIUIX-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10-4-17-19-6-11(8-21-14(10)19)2-3-12-5-18-20-7-13(16)9-22-15(12)20/h4-5,11,13H,2-3,6-9H2,1H3/t11-,13?/m0/s1.
What are the key properties of 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 306.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166904877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).