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

C13H19N5O3 — CID 116743337

IUPAC4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCCOC1(c2noc(-c3nonc3N)n2)CCCCCC1
InChIInChI=1S/C13H19N5O3/c1-2-19-13(7-5-3-4-6-8-13)12-15-11(20-18-12)9-10(14)17-21-16-9/h2-8H2,1H3,(H2,14,17)
InChIKeyJILNEPYEXROQHE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.29
Rot. Bonds4

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

4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 116743337) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID116743337
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCCOC1(c2noc(-c3nonc3N)n2)CCCCCC1
InChIInChI=1S/C13H19N5O3/c1-2-19-13(7-5-3-4-6-8-13)12-15-11(20-18-12)9-10(14)17-21-16-9/h2-8H2,1H3,(H2,14,17)
InChIKeyJILNEPYEXROQHE-UHFFFAOYSA-N
XLogP2.29
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741420
5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795618
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116741965
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116741461
3-amino-3-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116743355

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 116743337) is 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is CCOC1(c2noc(-c3nonc3N)n2)CCCCCC1.
What is the InChIKey of 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is JILNEPYEXROQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-19-13(7-5-3-4-6-8-13)12-15-11(20-18-12)9-10(14)17-21-16-9/h2-8H2,1H3,(H2,14,17).
What are the key properties of 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 293.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 116743337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).