(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine

C17H19N3OS — CID 97323492

IUPAC(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](N[C@H](C)c1cccs1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H19N3OS/c1-12(15-9-6-10-22-15)18-13(2)17-19-16(21-20-17)11-14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyTWCIOFQSTHWYPY-OLZOCXBDSA-N
MW313.43 g/mol
LogP4.13
Rot. Bonds6

About (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine

(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 97323492) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID97323492
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](N[C@H](C)c1cccs1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H19N3OS/c1-12(15-9-6-10-22-15)18-13(2)17-19-16(21-20-17)11-14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyTWCIOFQSTHWYPY-OLZOCXBDSA-N
XLogP4.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine with MolForge

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Related Compounds

1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 138043202
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133378772
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461765
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96559454
6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile
CID 133418971
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323629
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
CID 84595307
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine (CID 97323492) is (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine is C[C@H](N[C@H](C)c1cccs1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is TWCIOFQSTHWYPY-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12(15-9-6-10-22-15)18-13(2)17-19-16(21-20-17)11-14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 313.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 97323492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).