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

C16H26N2O4S — CID 71103757

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)CC2CCCO2)on1
InChIInChI=1S/C16H26N2O4S/c1-15(2,3)12-9-13(22-18-12)17-14(19)16(4,5)23(20)10-11-7-6-8-21-11/h9,11H,6-8,10H2,1-5H3,(H,17,19)
InChIKeyWQKPMDOMKKAGDB-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.62
Rot. Bonds5

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide (PubChem CID 71103757) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
PubChem CID71103757
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)CC2CCCO2)on1
InChIInChI=1S/C16H26N2O4S/c1-15(2,3)12-9-13(22-18-12)17-14(19)16(4,5)23(20)10-11-7-6-8-21-11/h9,11H,6-8,10H2,1-5H3,(H,17,19)
InChIKeyWQKPMDOMKKAGDB-UHFFFAOYSA-N
XLogP2.62
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
CID 124891285
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24601742
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
2-[cyclopropylmethyl(methylidene)-λ4-sulfanyl]-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 89078441
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-morpholin-4-ylsulfonylpropanamide
CID 68732117
2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 70820859
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 26389065
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33027611
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide (CID 71103757) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)CC2CCCO2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide?
The InChIKey is WQKPMDOMKKAGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-15(2,3)12-9-13(22-18-12)17-14(19)16(4,5)23(20)10-11-7-6-8-21-11/h9,11H,6-8,10H2,1-5H3,(H,17,19).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide has a molecular weight of 342.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide is sourced from PubChem (CID 71103757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).