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

C12H21N3O2S — CID 83201404

IUPAC4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1c1nc(C(C)OCC)no1
InChIInChI=1S/C12H21N3O2S/c1-4-13-10-7-18-6-9(10)12-14-11(15-17-12)8(3)16-5-2/h8-10,13H,4-7H2,1-3H3
InChIKeyNEHYEHLXNXLJPX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.98
Rot. Bonds6

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

4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine (PubChem CID 83201404) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
PubChem CID83201404
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1c1nc(C(C)OCC)no1
InChIInChI=1S/C12H21N3O2S/c1-4-13-10-7-18-6-9(10)12-14-11(15-17-12)8(3)16-5-2/h8-10,13H,4-7H2,1-3H3
InChIKeyNEHYEHLXNXLJPX-UHFFFAOYSA-N
XLogP1.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 116733365
4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200820
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200944
3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 64539424
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248052
N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809201
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781472
N-ethyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83192086
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200984

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
The IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine (CID 83201404) is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine.
What is the SMILES notation for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
The canonical SMILES for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine is CCNC1CSCC1c1nc(C(C)OCC)no1.
What is the InChIKey of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
The InChIKey is NEHYEHLXNXLJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-13-10-7-18-6-9(10)12-14-11(15-17-12)8(3)16-5-2/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine?
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine has a molecular weight of 271.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine is sourced from PubChem (CID 83201404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).