N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C11H18N2O3S — CID 99577531

IUPACN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1c(C)noc1C
InChIInChI=1S/C11H18N2O3S/c1-7-10(8(2)16-13-7)11(15)12-9(6-14)4-5-17-3/h9,14H,4-6H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyDNWFGURXWYBAOK-VIFPVBQESA-N
MW258.34 g/mol
LogP1.14
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 99577531) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID99577531
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1c(C)noc1C
InChIInChI=1S/C11H18N2O3S/c1-7-10(8(2)16-13-7)11(15)12-9(6-14)4-5-17-3/h9,14H,4-6H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyDNWFGURXWYBAOK-VIFPVBQESA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
N-(4-hydroxy-1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103851120
N-(4-hydroxy-3-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115770862
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-methoxy-6-methylbenzamide
CID 131917983
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 46440611
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3-(3-chloro-1,2-oxazol-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide
CID 91821155

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 99577531) is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CSCC[C@@H](CO)NC(=O)c1c(C)noc1C.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DNWFGURXWYBAOK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-10(8(2)16-13-7)11(15)12-9(6-14)4-5-17-3/h9,14H,4-6H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 258.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99577531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).