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

C15H24FN5O4S — CID 91960077

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

7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960077) has the molecular formula C15H24FN5O4S and a molecular weight of 389.45 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
• PubChem CID: 91960077
• Molecular Formula: C15H24FN5O4S
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.15
• IUPAC Name: 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
• SMILES: CC(C)S(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
• InChI: InChI=1S/C15H24FN5O4S/c1-11(2)26(23,24)20-7-5-19(6-8-20)4-3-17-14(22)13-12(16)15-21(18-13)9-10-25-15/h11H,3-10H2,1-2H3,(H,17,22)
• InChIKey: LQEGXRHTWFDKIW-UHFFFAOYSA-N
• XLogP: -0.50
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.45
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

The IUPAC name of 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960077) is 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

What is the SMILES notation for 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

The canonical SMILES for 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CC(C)S(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1.

What is the InChIKey of 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

The InChIKey is LQEGXRHTWFDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O4S/c1-11(2)26(23,24)20-7-5-19(6-8-20)4-3-17-14(22)13-12(16)15-21(18-13)9-10-25-15/h11H,3-10H2,1-2H3,(H,17,22).

What are the key properties of 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?

7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 389.45 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).