7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H17FN4O3 — CID 91960089

About 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960089) has the molecular formula C12H17FN4O3 and a molecular weight of 284.29 g/mol. Its IUPAC name is 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
• PubChem CID: 91960089
• Molecular Formula: C12H17FN4O3
• Molecular Weight: 284.29 g/mol
• Exact Mass: 284.13
• IUPAC Name: 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
• SMILES: CC(C)NC(=O)CCNC(=O)c1nn2c(c1F)OCC2
• InChI: InChI=1S/C12H17FN4O3/c1-7(2)15-8(18)3-4-14-11(19)10-9(13)12-17(16-10)5-6-20-12/h7H,3-6H2,1-2H3,(H,14,19)(H,15,18)
• InChIKey: CIMFRXZWEMUBQH-UHFFFAOYSA-N
• XLogP: 0.06
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.29
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

The IUPAC name of 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960089) is 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

What is the SMILES notation for 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

The canonical SMILES for 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CC(C)NC(=O)CCNC(=O)c1nn2c(c1F)OCC2.

What is the InChIKey of 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

The InChIKey is CIMFRXZWEMUBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O3/c1-7(2)15-8(18)3-4-14-11(19)10-9(13)12-17(16-10)5-6-20-12/h7H,3-6H2,1-2H3,(H,14,19)(H,15,18).

What are the key properties of 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).