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

C15H26N2O4S — CID 25004378

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H26N2O4S/c1-10(2)9-22(19,20)15(6,7)13(18)16-12-8-11(21-17-12)14(3,4)5/h8,10H,9H2,1-7H3,(H,16,17,18)
InChIKeyUKVNPWFRGOGJOF-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.76
Rot. Bonds5

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide (PubChem CID 25004378) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
PubChem CID25004378
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H26N2O4S/c1-10(2)9-22(19,20)15(6,7)13(18)16-12-8-11(21-17-12)14(3,4)5/h8,10H,9H2,1-7H3,(H,16,17,18)
InChIKeyUKVNPWFRGOGJOF-UHFFFAOYSA-N
XLogP2.76
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide
CID 59704004
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
CID 58198607
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide
CID 59703933
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[methylsulfonyl(pyrrolidin-3-yl)methyl]sulfonylpropanamide
CID 87267505
2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 59267923
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-tert-butylsulfonyl-2-methylpropanamide;2-tert-butylsulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 160651237
CID 58990227
CID 58990227

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide (CID 25004378) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide is CC(C)CS(=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-(2-methylpropylsulfonyl)propanamide?
The InChIKey is UKVNPWFRGOGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-10(2)9-22(19,20)15(6,7)13(18)16-12-8-11(21-17-12)14(3,4)5/h8,10H,9H2,1-7H3,(H,16,17,18).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide has a molecular weight of 330.45 g/mol, XLogP of 2.76, 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-methyl-2-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 25004378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).