5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C8H9F2N3O2 — CID 167414073

IUPAC5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)CCC(C(F)F)O2
InChIInChI=1S/C8H9F2N3O2/c9-7(10)5-1-2-13-6(15-5)3-4(12-13)8(11)14/h3,5,7H,1-2H2,(H2,11,14)
InChIKeyZFOMRQNVBBMICS-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.40
Rot. Bonds2

About 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 167414073) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID167414073
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)CCC(C(F)F)O2
InChIInChI=1S/C8H9F2N3O2/c9-7(10)5-1-2-13-6(15-5)3-4(12-13)8(11)14/h3,5,7H,1-2H2,(H2,11,14)
InChIKeyZFOMRQNVBBMICS-UHFFFAOYSA-N
XLogP0.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 167414073) is 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is NC(=O)c1cc2n(n1)CCC(C(F)F)O2.
What is the InChIKey of 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is ZFOMRQNVBBMICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-7(10)5-1-2-13-6(15-5)3-4(12-13)8(11)14/h3,5,7H,1-2H2,(H2,11,14).
What are the key properties of 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 167414073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).