N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide

C11H18N2O3S — CID 95984269

IUPACN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCSCC[C@](C)(O)CNC(=O)c1cc(C)on1
InChIInChI=1S/C11H18N2O3S/c1-8-6-9(13-16-8)10(14)12-7-11(2,15)4-5-17-3/h6,15H,4-5,7H2,1-3H3,(H,12,14)/t11-/m0/s1
InChIKeyOBMBRBGAKOHLIZ-NSHDSACASA-N
MW258.34 g/mol
LogP1.22
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 95984269) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID95984269
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCSCC[C@](C)(O)CNC(=O)c1cc(C)on1
InChIInChI=1S/C11H18N2O3S/c1-8-6-9(13-16-8)10(14)12-7-11(2,15)4-5-17-3/h6,15H,4-5,7H2,1-3H3,(H,12,14)/t11-/m0/s1
InChIKeyOBMBRBGAKOHLIZ-NSHDSACASA-N
XLogP1.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 71787269
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
CID 95984279
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide
CID 113239583
3-chloro-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzamide
CID 71787281
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984312
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-oxochromene-3-carboxamide
CID 95984367

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 95984269) is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide is CSCC[C@](C)(O)CNC(=O)c1cc(C)on1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is OBMBRBGAKOHLIZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-6-9(13-16-8)10(14)12-7-11(2,15)4-5-17-3/h6,15H,4-5,7H2,1-3H3,(H,12,14)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 258.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95984269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).