N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide

C18H22F3N3O4S — CID 24855652

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
SMILESCC(C)C(C(=O)Nc1cc(C(C)(C)C)on1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N3O4S/c1-10(2)15(16(25)23-13-8-12(28-24-13)17(3,4)5)29(26,27)14-7-6-11(9-22-14)18(19,20)21/h6-10,15H,1-5H3,(H,23,24,25)
InChIKeyXFNIVUJIPFGIFN-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.82
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide (PubChem CID 24855652) has the molecular formula C18H22F3N3O4S and a molecular weight of 433.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
PubChem CID24855652
Molecular FormulaC18H22F3N3O4S
Molecular Weight433.45 g/mol
Exact Mass433.13
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
SMILESCC(C)C(C(=O)Nc1cc(C(C)(C)C)on1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N3O4S/c1-10(2)15(16(25)23-13-8-12(28-24-13)17(3,4)5)29(26,27)14-7-6-11(9-22-14)18(19,20)21/h6-10,15H,1-5H3,(H,23,24,25)
InChIKeyXFNIVUJIPFGIFN-UHFFFAOYSA-N
XLogP3.82
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide (CID 24855652) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide is CC(C)C(C(=O)Nc1cc(C(C)(C)C)on1)S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
The InChIKey is XFNIVUJIPFGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O4S/c1-10(2)15(16(25)23-13-8-12(28-24-13)17(3,4)5)29(26,27)14-7-6-11(9-22-14)18(19,20)21/h6-10,15H,1-5H3,(H,23,24,25).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide has a molecular weight of 433.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide is sourced from PubChem (CID 24855652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).