N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide

C17H28N2O3S — CID 59703933

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide
SMILESCC(C)(C)C(=O)CSC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C17H28N2O3S/c1-15(2,3)11(20)10-23-17(7,8)14(21)18-13-9-12(22-19-13)16(4,5)6/h9H,10H2,1-8H3,(H,18,19,21)
InChIKeyLVQUNDDASPWCGB-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.04
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide (PubChem CID 59703933) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide
PubChem CID59703933
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide
SMILESCC(C)(C)C(=O)CSC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C17H28N2O3S/c1-15(2,3)11(20)10-23-17(7,8)14(21)18-13-9-12(22-19-13)16(4,5)6/h9H,10H2,1-8H3,(H,18,19,21)
InChIKeyLVQUNDDASPWCGB-UHFFFAOYSA-N
XLogP4.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.04
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-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide (CID 59703933) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide is CC(C)(C)C(=O)CSC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide?
The InChIKey is LVQUNDDASPWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-15(2,3)11(20)10-23-17(7,8)14(21)18-13-9-12(22-19-13)16(4,5)6/h9H,10H2,1-8H3,(H,18,19,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide has a molecular weight of 340.49 g/mol, XLogP of 4.04, 5 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-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 59703933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).