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

C13H18N4O2S — CID 104636160

IUPAC1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESCc1cscc1-c1nc(C(N)CN2CCOCC2)no1
InChIInChI=1S/C13H18N4O2S/c1-9-7-20-8-10(9)13-15-12(16-19-13)11(14)6-17-2-4-18-5-3-17/h7-8,11H,2-6,14H2,1H3
InChIKeyQATHXNHTJBZYSP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.44
Rot. Bonds4

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

1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (PubChem CID 104636160) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
PubChem CID104636160
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESCc1cscc1-c1nc(C(N)CN2CCOCC2)no1
InChIInChI=1S/C13H18N4O2S/c1-9-7-20-8-10(9)13-15-12(16-19-13)11(14)6-17-2-4-18-5-3-17/h7-8,11H,2-6,14H2,1H3
InChIKeyQATHXNHTJBZYSP-UHFFFAOYSA-N
XLogP1.44
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
2-methoxy-1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633650
1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636193
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
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106689495

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The IUPAC name of 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (CID 104636160) is 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is Cc1cscc1-c1nc(C(N)CN2CCOCC2)no1.
What is the InChIKey of 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The InChIKey is QATHXNHTJBZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-7-20-8-10(9)13-15-12(16-19-13)11(14)6-17-2-4-18-5-3-17/h7-8,11H,2-6,14H2,1H3.
What are the key properties of 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine has a molecular weight of 294.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 104636160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).