1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

C10H19N3O2S — CID 64539630

IUPAC1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCCOC(C)c1noc(C(N)CCSC)n1
InChIInChI=1S/C10H19N3O2S/c1-4-14-7(2)9-12-10(15-13-9)8(11)5-6-16-3/h7-8H,4-6,11H2,1-3H3
InChIKeyDHQKJHHHEVCTLL-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.92
Rot. Bonds7

About 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (PubChem CID 64539630) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
PubChem CID64539630
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCCOC(C)c1noc(C(N)CCSC)n1
InChIInChI=1S/C10H19N3O2S/c1-4-14-7(2)9-12-10(15-13-9)8(11)5-6-16-3/h7-8H,4-6,11H2,1-3H3
InChIKeyDHQKJHHHEVCTLL-UHFFFAOYSA-N
XLogP1.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909629
(1R)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909625
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400
(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909630
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106814787
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949
ethyl 5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104909597
ethyl 5-[(1S)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104909596
(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894655
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (CID 64539630) is 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is CCOC(C)c1noc(C(N)CCSC)n1.
What is the InChIKey of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The InChIKey is DHQKJHHHEVCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-14-7(2)9-12-10(15-13-9)8(11)5-6-16-3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 64539630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).