2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide

C17H23N3O3S — CID 95764861

IUPAC2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)Cc1nc(C[S@@](=O)CC(=O)N[C@H](C)c2ccccc2)no1
InChIInChI=1S/C17H23N3O3S/c1-12(2)9-17-19-15(20-23-17)10-24(22)11-16(21)18-13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,21)/t13-,24-/m1/s1
InChIKeyYURNIDOTUYYCBP-YEBMWUKDSA-N
MW349.46 g/mol
LogP2.39
Rot. Bonds8

About 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide

2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 95764861) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID95764861
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)Cc1nc(C[S@@](=O)CC(=O)N[C@H](C)c2ccccc2)no1
InChIInChI=1S/C17H23N3O3S/c1-12(2)9-17-19-15(20-23-17)10-24(22)11-16(21)18-13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,21)/t13-,24-/m1/s1
InChIKeyYURNIDOTUYYCBP-YEBMWUKDSA-N
XLogP2.39
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
2-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 164640938
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 92893111
2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 58592811
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783299
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid
CID 16781340
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide
CID 94180339
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide (CID 95764861) is 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide is CC(C)Cc1nc(C[S@@](=O)CC(=O)N[C@H](C)c2ccccc2)no1.
What is the InChIKey of 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is YURNIDOTUYYCBP-YEBMWUKDSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(2)9-17-19-15(20-23-17)10-24(22)11-16(21)18-13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,21)/t13-,24-/m1/s1.
What are the key properties of 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 95764861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).