4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide

C17H28N2O5S — CID 59634246

IUPAC4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide
SMILESCC(C)(C)c1cc(CC(=O)C(C)(C)S(=O)(=O)NC2CCOCC2)no1
InChIInChI=1S/C17H28N2O5S/c1-16(2,3)15-11-13(18-24-15)10-14(20)17(4,5)25(21,22)19-12-6-8-23-9-7-12/h11-12,19H,6-10H2,1-5H3
InChIKeyHNSUBBWJONLHTO-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.96
Rot. Bonds6

About 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide

4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide (PubChem CID 59634246) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide.

Molecular Properties

Compound Name4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide
PubChem CID59634246
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide
SMILESCC(C)(C)c1cc(CC(=O)C(C)(C)S(=O)(=O)NC2CCOCC2)no1
InChIInChI=1S/C17H28N2O5S/c1-16(2,3)15-11-13(18-24-15)10-14(20)17(4,5)25(21,22)19-12-6-8-23-9-7-12/h11-12,19H,6-10H2,1-5H3
InChIKeyHNSUBBWJONLHTO-UHFFFAOYSA-N
XLogP1.96
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide?
The IUPAC name of 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide (CID 59634246) is 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide.
What is the SMILES notation for 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide?
The canonical SMILES for 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide is CC(C)(C)c1cc(CC(=O)C(C)(C)S(=O)(=O)NC2CCOCC2)no1.
What is the InChIKey of 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide?
The InChIKey is HNSUBBWJONLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-16(2,3)15-11-13(18-24-15)10-14(20)17(4,5)25(21,22)19-12-6-8-23-9-7-12/h11-12,19H,6-10H2,1-5H3.
What are the key properties of 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide?
4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-N-(oxan-4-yl)-3-oxobutane-2-sulfonamide is sourced from PubChem (CID 59634246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).