7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C10H14FN3O2 — CID 91960114

IUPAC7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCC(C)CNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C10H14FN3O2/c1-6(2)5-12-9(15)8-7(11)10-14(13-8)3-4-16-10/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyCITVQJIGAMEDCY-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.80
Rot. Bonds3

About 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960114) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960114
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCC(C)CNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C10H14FN3O2/c1-6(2)5-12-9(15)8-7(11)10-14(13-8)3-4-16-10/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyCITVQJIGAMEDCY-UHFFFAOYSA-N
XLogP0.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960114) is 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CC(C)CNC(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is CITVQJIGAMEDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-6(2)5-12-9(15)8-7(11)10-14(13-8)3-4-16-10/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 227.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).