1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C13H17N3OS — CID 63347362

IUPAC1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCNC(Cc1nc(-c2cccs2)no1)C1CC1
InChIInChI=1S/C13H17N3OS/c1-2-14-10(9-5-6-9)8-12-15-13(16-17-12)11-4-3-7-18-11/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyUNEBZNWEFLGCPB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.73
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 63347362) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID63347362
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCNC(Cc1nc(-c2cccs2)no1)C1CC1
InChIInChI=1S/C13H17N3OS/c1-2-14-10(9-5-6-9)8-12-15-13(16-17-12)11-4-3-7-18-11/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyUNEBZNWEFLGCPB-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63347026
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63348066
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63347887
N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
(2R)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 27261231
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233181

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 63347362) is 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CCNC(Cc1nc(-c2cccs2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is UNEBZNWEFLGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-14-10(9-5-6-9)8-12-15-13(16-17-12)11-4-3-7-18-11/h3-4,7,9-10,14H,2,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 63347362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).