(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C16H22N4O2 — CID 169034179

IUPAC(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1c(-c2cnn(C3COC3)c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C16H22N4O2/c1-10(2)14-15(18-19-5-4-11(3)22-16(14)19)12-6-17-20(7-12)13-8-21-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyZPZLFNFMEUIDKI-LLVKDONJSA-N
MW302.38 g/mol
LogP2.61
Rot. Bonds3

About (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 169034179) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID169034179
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1c(-c2cnn(C3COC3)c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C16H22N4O2/c1-10(2)14-15(18-19-5-4-11(3)22-16(14)19)12-6-17-20(7-12)13-8-21-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyZPZLFNFMEUIDKI-LLVKDONJSA-N
XLogP2.61
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-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 (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 169034179) is (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)c1c(-c2cnn(C3COC3)c2)nn2c1O[C@H](C)CC2.
What is the InChIKey of (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is ZPZLFNFMEUIDKI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)14-15(18-19-5-4-11(3)22-16(14)19)12-6-17-20(7-12)13-8-21-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 302.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 169034179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).