N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide

C15H20N2O2S2 — CID 59662681

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide
SMILESCC(C)(Sc1cccs1)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H20N2O2S2/c1-14(2,3)10-9-11(17-19-10)16-13(18)15(4,5)21-12-7-6-8-20-12/h6-9H,1-5H3,(H,16,17,18)
InChIKeySBWCHBTXLUTWDL-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.54
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide (PubChem CID 59662681) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide
PubChem CID59662681
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide
SMILESCC(C)(Sc1cccs1)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H20N2O2S2/c1-14(2,3)10-9-11(17-19-10)16-13(18)15(4,5)21-12-7-6-8-20-12/h6-9H,1-5H3,(H,16,17,18)
InChIKeySBWCHBTXLUTWDL-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
CID 157232597
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
CID 58990227
CID 58990227
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
CID 58198607
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-ylsulfanylphenyl)urea
CID 25019765

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide (CID 59662681) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide is CC(C)(Sc1cccs1)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-thiophen-2-ylsulfanylpropanamide?
The InChIKey is SBWCHBTXLUTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-14(2,3)10-9-11(17-19-10)16-13(18)15(4,5)21-12-7-6-8-20-12/h6-9H,1-5H3,(H,16,17,18).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfanylpropanamide has a molecular weight of 324.47 g/mol, XLogP of 4.54, 4 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-thiophen-2-ylsulfanylpropanamide is sourced from PubChem (CID 59662681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).