(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone

C12H16FN3O2 — CID 91960093

IUPAC(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C12H16FN3O2/c1-8-4-2-3-5-15(8)11(17)10-9(13)12-16(14-10)6-7-18-12/h8H,2-7H2,1H3
InChIKeyIHQMBBDPTLKBJP-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.43
Rot. Bonds1

About (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone

(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 91960093) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID91960093
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C12H16FN3O2/c1-8-4-2-3-5-15(8)11(17)10-9(13)12-16(14-10)6-7-18-12/h8H,2-7H2,1H3
InChIKeyIHQMBBDPTLKBJP-UHFFFAOYSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone (CID 91960093) is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is IHQMBBDPTLKBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8-4-2-3-5-15(8)11(17)10-9(13)12-16(14-10)6-7-18-12/h8H,2-7H2,1H3.
What are the key properties of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone?
(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 253.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91960093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).