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

C14H21F2N3O4S — CID 68733904

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CC(F)(F)C2)no1
InChIInChI=1S/C14H21F2N3O4S/c1-12(2,3)9-6-10(18-23-9)17-11(20)13(4,5)24(21,22)19-7-14(15,16)8-19/h6H,7-8H2,1-5H3,(H,17,18,20)
InChIKeyIATJNQVKDFWQRV-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.97
Rot. Bonds4

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide (PubChem CID 68733904) has the molecular formula C14H21F2N3O4S and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide
PubChem CID68733904
Molecular FormulaC14H21F2N3O4S
Molecular Weight365.40 g/mol
Exact Mass365.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CC(F)(F)C2)no1
InChIInChI=1S/C14H21F2N3O4S/c1-12(2,3)9-6-10(18-23-9)17-11(20)13(4,5)24(21,22)19-7-14(15,16)8-19/h6H,7-8H2,1-5H3,(H,17,18,20)
InChIKeyIATJNQVKDFWQRV-UHFFFAOYSA-N
XLogP1.97
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide (CID 68733904) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CC(F)(F)C2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide?
The InChIKey is IATJNQVKDFWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O4S/c1-12(2,3)9-6-10(18-23-9)17-11(20)13(4,5)24(21,22)19-7-14(15,16)8-19/h6H,7-8H2,1-5H3,(H,17,18,20).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide has a molecular weight of 365.40 g/mol, XLogP of 1.97, 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-(3,3-difluoroazetidin-1-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 68733904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).