7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H17FN4O2 — CID 91960058

IUPAC7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C12H17FN4O2/c1-16-4-2-8(3-5-16)14-11(18)10-9(13)12-17(15-10)6-7-19-12/h8H,2-7H2,1H3,(H,14,18)
InChIKeyLNSTXUDWICWXIH-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.24
Rot. Bonds2

About 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960058) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960058
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C12H17FN4O2/c1-16-4-2-8(3-5-16)14-11(18)10-9(13)12-17(15-10)6-7-19-12/h8H,2-7H2,1H3,(H,14,18)
InChIKeyLNSTXUDWICWXIH-UHFFFAOYSA-N
XLogP0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960058) is 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CN1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is LNSTXUDWICWXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-16-4-2-8(3-5-16)14-11(18)10-9(13)12-17(15-10)6-7-19-12/h8H,2-7H2,1H3,(H,14,18).
What are the key properties of 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).