2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide

C16H28N2O3S — CID 91117963

IUPAC2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCCC(C)SC(C)(C)C(=O)Nc1cc(C(C)(C)C(C)O)no1
InChIInChI=1S/C16H28N2O3S/c1-8-10(2)22-16(6,7)14(20)17-13-9-12(18-21-13)15(4,5)11(3)19/h9-11,19H,8H2,1-7H3,(H,17,20)
InChIKeyASTZRIOMSRCLNV-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.58
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide

2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 91117963) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID91117963
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCCC(C)SC(C)(C)C(=O)Nc1cc(C(C)(C)C(C)O)no1
InChIInChI=1S/C16H28N2O3S/c1-8-10(2)22-16(6,7)14(20)17-13-9-12(18-21-13)15(4,5)11(3)19/h9-11,19H,8H2,1-7H3,(H,17,20)
InChIKeyASTZRIOMSRCLNV-UHFFFAOYSA-N
XLogP3.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide with MolForge

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Related Compounds

2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
CID 143964863
N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 45110253
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
3-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137390
N-[3-[1-(1-ethoxypropoxy)-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 143964888
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 143964708
3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
CID 176873409
2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
CID 67953233
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (CID 91117963) is 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is CCC(C)SC(C)(C)C(=O)Nc1cc(C(C)(C)C(C)O)no1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is ASTZRIOMSRCLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-8-10(2)22-16(6,7)14(20)17-13-9-12(18-21-13)15(4,5)11(3)19/h9-11,19H,8H2,1-7H3,(H,17,20).
What are the key properties of 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 328.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 91117963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).