3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C14H14F2N4O3 — CID 130380456

IUPAC3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCNC(=O)c1nn2c(c1-c1ccc(OC(F)F)nc1)OCCC2
InChIInChI=1S/C14H14F2N4O3/c1-17-12(21)11-10(13-20(19-11)5-2-6-22-13)8-3-4-9(18-7-8)23-14(15)16/h3-4,7,14H,2,5-6H2,1H3,(H,17,21)
InChIKeyAJJQMMGWFICENJ-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.69
Rot. Bonds4

About 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 130380456) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID130380456
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCNC(=O)c1nn2c(c1-c1ccc(OC(F)F)nc1)OCCC2
InChIInChI=1S/C14H14F2N4O3/c1-17-12(21)11-10(13-20(19-11)5-2-6-22-13)8-3-4-9(18-7-8)23-14(15)16/h3-4,7,14H,2,5-6H2,1H3,(H,17,21)
InChIKeyAJJQMMGWFICENJ-UHFFFAOYSA-N
XLogP1.69
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 130380456) is 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CNC(=O)c1nn2c(c1-c1ccc(OC(F)F)nc1)OCCC2.
What is the InChIKey of 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is AJJQMMGWFICENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c1-17-12(21)11-10(13-20(19-11)5-2-6-22-13)8-3-4-9(18-7-8)23-14(15)16/h3-4,7,14H,2,5-6H2,1H3,(H,17,21).
What are the key properties of 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethoxy)-3-pyridinyl]-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 130380456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).