6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C8H9F2N3O2 — CID 167414107

IUPAC6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC1Oc2cc(C(N)=O)nn2CC1(F)F
InChIInChI=1S/C8H9F2N3O2/c1-4-8(9,10)3-13-6(15-4)2-5(12-13)7(11)14/h2,4H,3H2,1H3,(H2,11,14)
InChIKeyDSFRHFSHMWWZHB-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.40
Rot. Bonds1

About 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide

6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 167414107) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID167414107
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC1Oc2cc(C(N)=O)nn2CC1(F)F
InChIInChI=1S/C8H9F2N3O2/c1-4-8(9,10)3-13-6(15-4)2-5(12-13)7(11)14/h2,4H,3H2,1H3,(H2,11,14)
InChIKeyDSFRHFSHMWWZHB-UHFFFAOYSA-N
XLogP0.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 167414107) is 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CC1Oc2cc(C(N)=O)nn2CC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is DSFRHFSHMWWZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-4-8(9,10)3-13-6(15-4)2-5(12-13)7(11)14/h2,4H,3H2,1H3,(H2,11,14).
What are the key properties of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 167414107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).