N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C17H22N2O2S — CID 17437229

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-11-6-7-13(12(2)8-11)22-10-15(20)18-16-9-14(19-21-16)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKeyLTNRSPKOJOQRTK-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.32
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 17437229) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID17437229
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-11-6-7-13(12(2)8-11)22-10-15(20)18-16-9-14(19-21-16)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKeyLTNRSPKOJOQRTK-UHFFFAOYSA-N
XLogP4.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7627210
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
2-(4-aminophenyl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299010
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299575
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78807733
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 28602799
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42115494
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18776443
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27548922

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 17437229) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is LTNRSPKOJOQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-6-7-13(12(2)8-11)22-10-15(20)18-16-9-14(19-21-16)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,20).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 318.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 17437229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).