1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide

C15H21FN4O3 — CID 91960092

IUPAC1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C15H21FN4O3/c1-9(2)17-13(21)10-3-5-19(6-4-10)14(22)12-11(16)15-20(18-12)7-8-23-15/h9-10H,3-8H2,1-2H3,(H,17,21)
InChIKeyMFRHJXBTNFCTDK-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.79
Rot. Bonds3

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

1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91960092) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID91960092
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C15H21FN4O3/c1-9(2)17-13(21)10-3-5-19(6-4-10)14(22)12-11(16)15-20(18-12)7-8-23-15/h9-10H,3-8H2,1-2H3,(H,17,21)
InChIKeyMFRHJXBTNFCTDK-UHFFFAOYSA-N
XLogP0.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 91960092) is 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is MFRHJXBTNFCTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-9(2)17-13(21)10-3-5-19(6-4-10)14(22)12-11(16)15-20(18-12)7-8-23-15/h9-10H,3-8H2,1-2H3,(H,17,21).
What are the key properties of 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91960092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).