3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C17H20N2O3 — CID 164631097

IUPAC3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESc1cc(CO[C@H]2CCOC2)cc(-c2cnn3c2OCCC3)c1
InChIInChI=1S/C17H20N2O3/c1-3-13(11-22-15-5-8-20-12-15)9-14(4-1)16-10-18-19-6-2-7-21-17(16)19/h1,3-4,9-10,15H,2,5-8,11-12H2/t15-/m0/s1
InChIKeyIDSJGJUFFAGKBV-HNNXBMFYSA-N
MW300.36 g/mol
LogP2.64
Rot. Bonds4

About 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 164631097) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID164631097
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESc1cc(CO[C@H]2CCOC2)cc(-c2cnn3c2OCCC3)c1
InChIInChI=1S/C17H20N2O3/c1-3-13(11-22-15-5-8-20-12-15)9-14(4-1)16-10-18-19-6-2-7-21-17(16)19/h1,3-4,9-10,15H,2,5-8,11-12H2/t15-/m0/s1
InChIKeyIDSJGJUFFAGKBV-HNNXBMFYSA-N
XLogP2.64
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 164631097) is 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is c1cc(CO[C@H]2CCOC2)cc(-c2cnn3c2OCCC3)c1.
What is the InChIKey of 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is IDSJGJUFFAGKBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-13(11-22-15-5-8-20-12-15)9-14(4-1)16-10-18-19-6-2-7-21-17(16)19/h1,3-4,9-10,15H,2,5-8,11-12H2/t15-/m0/s1.
What are the key properties of 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 300.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 164631097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).