N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide

C16H28N2O4S — CID 25003676

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H28N2O4S/c1-11(2)8-9-23(20,21)16(6,7)14(19)17-13-10-12(22-18-13)15(3,4)5/h10-11H,8-9H2,1-7H3,(H,17,18,19)
InChIKeyHCXNSWWYBKILNZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.15
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide (PubChem CID 25003676) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide
PubChem CID25003676
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H28N2O4S/c1-11(2)8-9-23(20,21)16(6,7)14(19)17-13-10-12(22-18-13)15(3,4)5/h10-11H,8-9H2,1-7H3,(H,17,18,19)
InChIKeyHCXNSWWYBKILNZ-UHFFFAOYSA-N
XLogP3.15
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.15
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-methyl-2-(3-methylbutylsulfonyl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide (CID 25003676) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide is CC(C)CCS(=O)(=O)C(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-methyl-2-(3-methylbutylsulfonyl)propanamide?
The InChIKey is HCXNSWWYBKILNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-11(2)8-9-23(20,21)16(6,7)14(19)17-13-10-12(22-18-13)15(3,4)5/h10-11H,8-9H2,1-7H3,(H,17,18,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide has a molecular weight of 344.48 g/mol, XLogP of 3.15, 6 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-methyl-2-(3-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 25003676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).