(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine

C17H17N3OS — CID 42587067

IUPAC(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C17H17N3OS/c18-15(11-13-7-3-1-4-8-13)16-19-20-17(21-16)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12,18H2/t15-/m1/s1
InChIKeyQCDLTXPIKZXMDO-OAHLLOKOSA-N
MW311.41 g/mol
LogP3.60
Rot. Bonds6

About (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine

(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine (PubChem CID 42587067) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
PubChem CID42587067
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C17H17N3OS/c18-15(11-13-7-3-1-4-8-13)16-19-20-17(21-16)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12,18H2/t15-/m1/s1
InChIKeyQCDLTXPIKZXMDO-OAHLLOKOSA-N
XLogP3.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 937321
1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 3739605
(1R)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 6546261
1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine;hydrochloride
CID 16876446
(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 663074
2-phenyl-1-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 22694291
2-benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
(1S)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6602711
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314688
ethyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 52995027
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
CID 53346721
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
CID 6603485

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine?
The IUPAC name of (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine (CID 42587067) is (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine?
The canonical SMILES for (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine is N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1.
What is the InChIKey of (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine?
The InChIKey is QCDLTXPIKZXMDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-15(11-13-7-3-1-4-8-13)16-19-20-17(21-16)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12,18H2/t15-/m1/s1.
What are the key properties of (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine?
(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine has a molecular weight of 311.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 42587067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).