7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C13H20FN3O3 — CID 91960072

IUPAC7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C13H20FN3O3/c1-13(2,3)8(18)4-5-15-11(19)10-9(14)12-17(16-10)6-7-20-12/h8,18H,4-7H2,1-3H3,(H,15,19)
InChIKeySXGKDTAWHHMJTH-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.94
Rot. Bonds4

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

7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960072) has the molecular formula C13H20FN3O3 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960072
Molecular FormulaC13H20FN3O3
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC Name7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C13H20FN3O3/c1-13(2,3)8(18)4-5-15-11(19)10-9(14)12-17(16-10)6-7-20-12/h8,18H,4-7H2,1-3H3,(H,15,19)
InChIKeySXGKDTAWHHMJTH-UHFFFAOYSA-N
XLogP0.94
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide 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-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960072) is 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CC(C)(C)C(O)CCNC(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is SXGKDTAWHHMJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3/c1-13(2,3)8(18)4-5-15-11(19)10-9(14)12-17(16-10)6-7-20-12/h8,18H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).