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

C17H20F3N3O4S — CID 2801231

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C17H20F3N3O4S/c1-15(2,3)11-8-12(23-27-11)22-14(24)16(4,5)28(25,26)13-7-6-10(9-21-13)17(18,19)20/h6-9H,1-5H3,(H,22,23,24)
InChIKeyXESCEOQHHPMQDU-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.58
Rot. Bonds4

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (PubChem CID 2801231) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
PubChem CID2801231
Molecular FormulaC17H20F3N3O4S
Molecular Weight419.43 g/mol
Exact Mass419.11
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C17H20F3N3O4S/c1-15(2,3)11-8-12(23-27-11)22-14(24)16(4,5)28(25,26)13-7-6-10(9-21-13)17(18,19)20/h6-9H,1-5H3,(H,22,23,24)
InChIKeyXESCEOQHHPMQDU-UHFFFAOYSA-N
XLogP3.58
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.58
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)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (CID 2801231) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The InChIKey is XESCEOQHHPMQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S/c1-15(2,3)11-8-12(23-27-11)22-14(24)16(4,5)28(25,26)13-7-6-10(9-21-13)17(18,19)20/h6-9H,1-5H3,(H,22,23,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide has a molecular weight of 419.43 g/mol, XLogP of 3.58, 4 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)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 2801231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).