2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C16H19N3O2S — CID 97114693

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCSCc1noc(CNC(=O)C[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O2S/c1-22-10-14-18-16(21-19-14)9-17-15(20)8-12-7-6-11-4-2-3-5-13(11)12/h2-5,12H,6-10H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyPNCOWTWKMOBNGF-GFCCVEGCSA-N
MW317.41 g/mol
LogP2.67
Rot. Bonds6

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 97114693) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID97114693
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCSCc1noc(CNC(=O)C[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O2S/c1-22-10-14-18-16(21-19-14)9-17-15(20)8-12-7-6-11-4-2-3-5-13(11)12/h2-5,12H,6-10H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyPNCOWTWKMOBNGF-GFCCVEGCSA-N
XLogP2.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72882863
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 124569740
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 122134159
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97126062
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436249
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97113053
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484467

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 97114693) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CSCc1noc(CNC(=O)C[C@H]2CCc3ccccc32)n1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is PNCOWTWKMOBNGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-22-10-14-18-16(21-19-14)9-17-15(20)8-12-7-6-11-4-2-3-5-13(11)12/h2-5,12H,6-10H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 97114693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).