2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide

C12H21N3O3S — CID 118768053

IUPAC2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)NCc1noc(CC(C)C)n1
InChIInChI=1S/C12H21N3O3S/c1-8(2)6-11-14-10(15-18-11)7-13-12(17)9(16)4-5-19-3/h8-9,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyDKENONNRDCUGEB-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.00
Rot. Bonds8

About 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide

2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide (PubChem CID 118768053) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide
PubChem CID118768053
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)NCc1noc(CC(C)C)n1
InChIInChI=1S/C12H21N3O3S/c1-8(2)6-11-14-10(15-18-11)7-13-12(17)9(16)4-5-19-3/h8-9,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyDKENONNRDCUGEB-UHFFFAOYSA-N
XLogP1.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 118770027
3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
CID 118775391
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanol
CID 43502586
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152
N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91833131
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 118761743
3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755069
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249524
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide (CID 118768053) is 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide is CSCCC(O)C(=O)NCc1noc(CC(C)C)n1.
What is the InChIKey of 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide?
The InChIKey is DKENONNRDCUGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(2)6-11-14-10(15-18-11)7-13-12(17)9(16)4-5-19-3/h8-9,16H,4-7H2,1-3H3,(H,13,17).
What are the key properties of 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide?
2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide has a molecular weight of 287.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 118768053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).