1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine

C12H15N3OS — CID 66219467

IUPAC1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1noc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3OS/c1-9(13)7-17-8-11-14-12(16-15-11)10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3
InChIKeyOELCNXGYEZYPPW-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.32
Rot. Bonds5

About 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine

1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine (PubChem CID 66219467) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine
PubChem CID66219467
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1noc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3OS/c1-9(13)7-17-8-11-14-12(16-15-11)10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3
InChIKeyOELCNXGYEZYPPW-UHFFFAOYSA-N
XLogP2.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
CID 43249503
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic acid
CID 66138702
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65138437
N,N-dimethyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 20566334
2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
CID 67586069
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 65137805
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249368
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine
CID 84592261
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine (CID 66219467) is 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine is CC(N)CSCc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine?
The InChIKey is OELCNXGYEZYPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(13)7-17-8-11-14-12(16-15-11)10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3.
What are the key properties of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine?
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66219467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).