5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C11H14FN3O4 — CID 166655099

IUPAC5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(F)OCCC1CCn2nc(C(=O)N=O)cc2O1
InChIInChI=1S/C11H14FN3O4/c1-7(12)18-5-3-8-2-4-15-10(19-8)6-9(13-15)11(16)14-17/h6-8H,2-5H2,1H3
InChIKeyGRNCZNZIIGMPKV-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.66
Rot. Bonds5

About 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 166655099) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID166655099
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(F)OCCC1CCn2nc(C(=O)N=O)cc2O1
InChIInChI=1S/C11H14FN3O4/c1-7(12)18-5-3-8-2-4-15-10(19-8)6-9(13-15)11(16)14-17/h6-8H,2-5H2,1H3
InChIKeyGRNCZNZIIGMPKV-UHFFFAOYSA-N
XLogP1.66
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 166655099) is 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CC(F)OCCC1CCn2nc(C(=O)N=O)cc2O1.
What is the InChIKey of 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is GRNCZNZIIGMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-7(12)18-5-3-8-2-4-15-10(19-8)6-9(13-15)11(16)14-17/h6-8H,2-5H2,1H3.
What are the key properties of 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 271.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 166655099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).