N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide

C16H25F2N3O4S — CID 68733131

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC(F)(F)CC2)no1
InChIInChI=1S/C16H25F2N3O4S/c1-14(2,3)11-10-12(20-25-11)19-13(22)15(4,5)26(23,24)21-8-6-16(17,18)7-9-21/h10H,6-9H2,1-5H3,(H,19,20,22)
InChIKeyXZXOIDVGHIPMAV-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.75
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide (PubChem CID 68733131) has the molecular formula C16H25F2N3O4S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide
PubChem CID68733131
Molecular FormulaC16H25F2N3O4S
Molecular Weight393.46 g/mol
Exact Mass393.15
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC(F)(F)CC2)no1
InChIInChI=1S/C16H25F2N3O4S/c1-14(2,3)11-10-12(20-25-11)19-13(22)15(4,5)26(23,24)21-8-6-16(17,18)7-9-21/h10H,6-9H2,1-5H3,(H,19,20,22)
InChIKeyXZXOIDVGHIPMAV-UHFFFAOYSA-N
XLogP2.75
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide 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 N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide (CID 68733131) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC(F)(F)CC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide?
The InChIKey is XZXOIDVGHIPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O4S/c1-14(2,3)11-10-12(20-25-11)19-13(22)15(4,5)26(23,24)21-8-6-16(17,18)7-9-21/h10H,6-9H2,1-5H3,(H,19,20,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide has a molecular weight of 393.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 68733131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).