(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

C12H20N2O2S — CID 95170555

IUPAC(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCCS[C@@H](C(=O)NCc1cc(C)on1)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-17-11(8(2)3)12(15)13-7-10-6-9(4)16-14-10/h6,8,11H,5,7H2,1-4H3,(H,13,15)/t11-/m1/s1
InChIKeySSYUXHNMAZLJSB-LLVKDONJSA-N
MW256.37 g/mol
LogP2.38
Rot. Bonds6

About (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 95170555) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID95170555
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCCS[C@@H](C(=O)NCc1cc(C)on1)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-17-11(8(2)3)12(15)13-7-10-6-9(4)16-14-10/h6,8,11H,5,7H2,1-4H3,(H,13,15)/t11-/m1/s1
InChIKeySSYUXHNMAZLJSB-LLVKDONJSA-N
XLogP2.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide with MolForge

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Related Compounds

2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908294
(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide
CID 126820543
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 95062178
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (CID 95170555) is (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is CCS[C@@H](C(=O)NCc1cc(C)on1)C(C)C.
What is the InChIKey of (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The InChIKey is SSYUXHNMAZLJSB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-17-11(8(2)3)12(15)13-7-10-6-9(4)16-14-10/h6,8,11H,5,7H2,1-4H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 256.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 95170555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).