N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

C11H18FN3O — CID 153086536

IUPACN-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
SMILESCC(C)c1cnn2c1OCC(NCCF)C2
InChIInChI=1S/C11H18FN3O/c1-8(2)10-5-14-15-6-9(13-4-3-12)7-16-11(10)15/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyVOHZIBSEWFLBCY-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.33
Rot. Bonds4

About N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine (PubChem CID 153086536) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
PubChem CID153086536
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC NameN-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
SMILESCC(C)c1cnn2c1OCC(NCCF)C2
InChIInChI=1S/C11H18FN3O/c1-8(2)10-5-14-15-6-9(13-4-3-12)7-16-11(10)15/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyVOHZIBSEWFLBCY-UHFFFAOYSA-N
XLogP1.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The IUPAC name of N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine (CID 153086536) is N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine is CC(C)c1cnn2c1OCC(NCCF)C2.
What is the InChIKey of N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The InChIKey is VOHZIBSEWFLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-8(2)10-5-14-15-6-9(13-4-3-12)7-16-11(10)15/h5,8-9,13H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine has a molecular weight of 227.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine is sourced from PubChem (CID 153086536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).