[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

C13H18N4O2S — CID 115285009

IUPAC[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESCCN1CCOC(c2noc(C(N)c3cccs3)n2)C1
InChIInChI=1S/C13H18N4O2S/c1-2-17-5-6-18-9(8-17)12-15-13(19-16-12)11(14)10-4-3-7-20-10/h3-4,7,9,11H,2,5-6,8,14H2,1H3
InChIKeyDEAQWUFXVZYXAP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.57
Rot. Bonds4

About [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (PubChem CID 115285009) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
PubChem CID115285009
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESCCN1CCOC(c2noc(C(N)c3cccs3)n2)C1
InChIInChI=1S/C13H18N4O2S/c1-2-17-5-6-18-9(8-17)12-15-13(19-16-12)11(14)10-4-3-7-20-10/h3-4,7,9,11H,2,5-6,8,14H2,1H3
InChIKeyDEAQWUFXVZYXAP-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677235
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 114399605
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79665325

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (CID 115285009) is [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is CCN1CCOC(c2noc(C(N)c3cccs3)n2)C1.
What is the InChIKey of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The InChIKey is DEAQWUFXVZYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-17-5-6-18-9(8-17)12-15-13(19-16-12)11(14)10-4-3-7-20-10/h3-4,7,9,11H,2,5-6,8,14H2,1H3.
What are the key properties of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine has a molecular weight of 294.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 115285009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).