2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C13H17N3O3S — CID 116742281

IUPAC2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCCOC1(c2noc(-c3sccc3N)n2)CCOCC1
InChIInChI=1S/C13H17N3O3S/c1-2-18-13(4-6-17-7-5-13)12-15-11(19-16-12)10-9(14)3-8-20-10/h3,8H,2,4-7,14H2,1H3
InChIKeyWHORMRSPVWJKQT-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.42
Rot. Bonds4

About 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 116742281) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID116742281
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCCOC1(c2noc(-c3sccc3N)n2)CCOCC1
InChIInChI=1S/C13H17N3O3S/c1-2-18-13(4-6-17-7-5-13)12-15-11(19-16-12)10-9(14)3-8-20-10/h3,8H,2,4-7,14H2,1H3
InChIKeyWHORMRSPVWJKQT-UHFFFAOYSA-N
XLogP2.42
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 116742262
6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116742334
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
CID 137017797
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742047
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742227
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116742359
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795618

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 116742281) is 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is CCOC1(c2noc(-c3sccc3N)n2)CCOCC1.
What is the InChIKey of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is WHORMRSPVWJKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-18-13(4-6-17-7-5-13)12-15-11(19-16-12)10-9(14)3-8-20-10/h3,8H,2,4-7,14H2,1H3.
What are the key properties of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 295.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 116742281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).