2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide

C12H20N2O2S — CID 51659552

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCc1nc(SCC(=O)N[C@@H](C)C(C)C)oc1C
InChIInChI=1S/C12H20N2O2S/c1-7(2)8(3)13-11(15)6-17-12-14-9(4)10(5)16-12/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyYSYMSFZFVWGHJE-QMMMGPOBSA-N
MW256.37 g/mol
LogP2.54
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 51659552) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID51659552
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCc1nc(SCC(=O)N[C@@H](C)C(C)C)oc1C
InChIInChI=1S/C12H20N2O2S/c1-7(2)8(3)13-11(15)6-17-12-14-9(4)10(5)16-12/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyYSYMSFZFVWGHJE-QMMMGPOBSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide with MolForge

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Related Compounds

3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 56736123
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
2,2,2-trifluoroethyl N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]carbamate
CID 56826249
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-2-amine
CID 106922177
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,3,3-trifluoropropan-1-amine
CID 106922204
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
CID 106922322
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 106923913
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 106925967
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113893957
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 71896980

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 51659552) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide is Cc1nc(SCC(=O)N[C@@H](C)C(C)C)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is YSYMSFZFVWGHJE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7(2)8(3)13-11(15)6-17-12-14-9(4)10(5)16-12/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 256.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 51659552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).