1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine

C14H20N4O2S — CID 104636193

IUPAC1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESCCc1ccc(-c2nc(C(N)CN3CCOCC3)no2)s1
InChIInChI=1S/C14H20N4O2S/c1-2-10-3-4-12(21-10)14-16-13(17-20-14)11(15)9-18-5-7-19-8-6-18/h3-4,11H,2,5-9,15H2,1H3
InChIKeyNTCPEXOUNSSNJA-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.69
Rot. Bonds5

About 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine

1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (PubChem CID 104636193) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
PubChem CID104636193
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESCCc1ccc(-c2nc(C(N)CN3CCOCC3)no2)s1
InChIInChI=1S/C14H20N4O2S/c1-2-10-3-4-12(21-10)14-16-13(17-20-14)11(15)9-18-5-7-19-8-6-18/h3-4,11H,2,5-9,15H2,1H3
InChIKeyNTCPEXOUNSSNJA-UHFFFAOYSA-N
XLogP1.69
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine with MolForge

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Related Compounds

2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635324
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636160
1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636200
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 113435617
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104786455
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The IUPAC name of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (CID 104636193) is 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is CCc1ccc(-c2nc(C(N)CN3CCOCC3)no2)s1.
What is the InChIKey of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The InChIKey is NTCPEXOUNSSNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-10-3-4-12(21-10)14-16-13(17-20-14)11(15)9-18-5-7-19-8-6-18/h3-4,11H,2,5-9,15H2,1H3.
What are the key properties of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine has a molecular weight of 308.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 104636193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).