7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C11H16FN3O2 — CID 91960128

IUPAC7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCCC(C)NC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C11H16FN3O2/c1-3-4-7(2)13-10(16)9-8(12)11-15(14-9)5-6-17-11/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyFCPNCYYRWJQQNK-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.33
Rot. Bonds4

About 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960128) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960128
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCCC(C)NC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C11H16FN3O2/c1-3-4-7(2)13-10(16)9-8(12)11-15(14-9)5-6-17-11/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyFCPNCYYRWJQQNK-UHFFFAOYSA-N
XLogP1.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
[1-methyl-6-oxo-5-[(3S)-piperidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-3-yl] 2,2,2-trifluoroacetate
CID 141673931
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91960053
7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960056
7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960058
7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960065
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960066
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960067
7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960072
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 91960073
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 91960074
(4-Ethylsulfonylpiperazin-1-yl)-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)methanone
CID 91960075

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960128) is 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CCCC(C)NC(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is FCPNCYYRWJQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-3-4-7(2)13-10(16)9-8(12)11-15(14-9)5-6-17-11/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 241.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).