(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide

C9H14N2O2S — CID 94031927

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
SMILESCC[C@@H](SC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C9H14N2O2S/c1-4-7(14-3)9(12)10-8-5-6(2)13-11-8/h5,7H,4H2,1-3H3,(H,10,11,12)/t7-/m1/s1
InChIKeyWFGDCBPHGQVEIK-SSDOTTSWSA-N
MW214.29 g/mol
LogP2.06
Rot. Bonds4

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide (PubChem CID 94031927) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
PubChem CID94031927
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
SMILESCC[C@@H](SC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C9H14N2O2S/c1-4-7(14-3)9(12)10-8-5-6(2)13-11-8/h5,7H,4H2,1-3H3,(H,10,11,12)/t7-/m1/s1
InChIKeyWFGDCBPHGQVEIK-SSDOTTSWSA-N
XLogP2.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutanamide
CID 16958410
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 784165
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
CID 46645201
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 17481577
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40789721
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 17410604
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 51074093
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide
CID 41090238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide (CID 94031927) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide is CC[C@@H](SC)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide?
The InChIKey is WFGDCBPHGQVEIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-7(14-3)9(12)10-8-5-6(2)13-11-8/h5,7H,4H2,1-3H3,(H,10,11,12)/t7-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide has a molecular weight of 214.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide is sourced from PubChem (CID 94031927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).