N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide

C13H22N2O2S — CID 59703925

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
SMILESCCSC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H22N2O2S/c1-7-18-13(5,6)11(16)14-10-8-9(17-15-10)12(2,3)4/h8H,7H2,1-6H3,(H,14,15,16)
InChIKeyULPPQDDTCIOSLR-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.44
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide (PubChem CID 59703925) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
PubChem CID59703925
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
SMILESCCSC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H22N2O2S/c1-7-18-13(5,6)11(16)14-10-8-9(17-15-10)12(2,3)4/h8H,7H2,1-6H3,(H,14,15,16)
InChIKeyULPPQDDTCIOSLR-UHFFFAOYSA-N
XLogP3.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)carbamic acid
CID 21098071
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide
CID 59662681
CID 58990227
CID 58990227
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 25004378
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926281
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 162660579
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
CID 157232597
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide (CID 59703925) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide is CCSC(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-ethylsulfanyl-2-methylpropanamide?
The InChIKey is ULPPQDDTCIOSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-7-18-13(5,6)11(16)14-10-8-9(17-15-10)12(2,3)4/h8H,7H2,1-6H3,(H,14,15,16).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide has a molecular weight of 270.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide is sourced from PubChem (CID 59703925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).