6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone

C14H18F3N3O3 — CID 136566054

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCC(CO)(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)13(9-21)2-5-19(6-3-13)11(22)10-8-18-20-4-1-7-23-12(10)20/h8,21H,1-7,9H2
InChIKeyONFSJUBYARPIBD-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.44
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 136566054) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID136566054
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCC(CO)(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)13(9-21)2-5-19(6-3-13)11(22)10-8-18-20-4-1-7-23-12(10)20/h8,21H,1-7,9H2
InChIKeyONFSJUBYARPIBD-UHFFFAOYSA-N
XLogP1.44
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 136566054) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cnn2c1OCCC2)N1CCC(CO)(C(F)(F)F)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ONFSJUBYARPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c15-14(16,17)13(9-21)2-5-19(6-3-13)11(22)10-8-18-20-4-1-7-23-12(10)20/h8,21H,1-7,9H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 333.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136566054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).