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

C14H19FN4O2 — CID 91960085

IUPAC7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESC=CCN1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C14H19FN4O2/c1-2-5-18-6-3-10(4-7-18)16-13(20)12-11(15)14-19(17-12)8-9-21-14/h2,10H,1,3-9H2,(H,16,20)
InChIKeyUBQGHOANFZPPCE-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.79
Rot. Bonds4

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

7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960085) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960085
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESC=CCN1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C14H19FN4O2/c1-2-5-18-6-3-10(4-7-18)16-13(20)12-11(15)14-19(17-12)8-9-21-14/h2,10H,1,3-9H2,(H,16,20)
InChIKeyUBQGHOANFZPPCE-UHFFFAOYSA-N
XLogP0.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960085) is 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is C=CCN1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is UBQGHOANFZPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-2-5-18-6-3-10(4-7-18)16-13(20)12-11(15)14-19(17-12)8-9-21-14/h2,10H,1,3-9H2,(H,16,20).
What are the key properties of 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).