N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C13H16FN5O2 — CID 136567169

IUPACN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCc1cnn(CCF)c1)c1cnn2c1OCCC2
InChIInChI=1S/C13H16FN5O2/c14-2-4-18-9-10(7-16-18)6-15-12(20)11-8-17-19-3-1-5-21-13(11)19/h7-9H,1-6H2,(H,15,20)
InChIKeyLAGJFKFBXVGBRR-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.76
Rot. Bonds5

About N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 136567169) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID136567169
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCc1cnn(CCF)c1)c1cnn2c1OCCC2
InChIInChI=1S/C13H16FN5O2/c14-2-4-18-9-10(7-16-18)6-15-12(20)11-8-17-19-3-1-5-21-13(11)19/h7-9H,1-6H2,(H,15,20)
InChIKeyLAGJFKFBXVGBRR-UHFFFAOYSA-N
XLogP0.76
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 136567169) is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCc1cnn(CCF)c1)c1cnn2c1OCCC2.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is LAGJFKFBXVGBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c14-2-4-18-9-10(7-16-18)6-15-12(20)11-8-17-19-3-1-5-21-13(11)19/h7-9H,1-6H2,(H,15,20).
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 136567169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).