2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C15H19N3OS — CID 3696515

IUPAC2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)C(N)c1nnc(SCC=Cc2ccccc2)o1
InChIInChI=1S/C15H19N3OS/c1-11(2)13(16)14-17-18-15(19-14)20-10-6-9-12-7-4-3-5-8-12/h3-9,11,13H,10,16H2,1-2H3
InChIKeyPXYWIIFSGFIJAO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.53
Rot. Bonds6

About 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 3696515) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID3696515
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)C(N)c1nnc(SCC=Cc2ccccc2)o1
InChIInChI=1S/C15H19N3OS/c1-11(2)13(16)14-17-18-15(19-14)20-10-6-9-12-7-4-3-5-8-12/h3-9,11,13H,10,16H2,1-2H3
InChIKeyPXYWIIFSGFIJAO-UHFFFAOYSA-N
XLogP3.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine with MolForge

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Related Compounds

2-methyl-1-[5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 4207824
tert-butyl N-[2-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 6105839
2-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
CID 53265036
tert-butyl N-[(1S)-3-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]carbamate
CID 7499523
(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 9170516
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 933237
1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-1-amine;hydrochloride
CID 6457449
1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine
CID 77055249
2-phenyl-1-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 22694291
2-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
CID 9344875
(E)-5-phenylpent-4-en-2-amine
CID 55254237
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 3696515) is 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CC(C)C(N)c1nnc(SCC=Cc2ccccc2)o1.
What is the InChIKey of 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is PXYWIIFSGFIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(2)13(16)14-17-18-15(19-14)20-10-6-9-12-7-4-3-5-8-12/h3-9,11,13H,10,16H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 3696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).