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

C14H19N5O2 — CID 116743211

IUPAC3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCOC1(c2noc(-c3nccnc3N)n2)CCCCCC1
InChIInChI=1S/C14H19N5O2/c1-20-14(6-4-2-3-5-7-14)13-18-12(21-19-13)10-11(15)17-9-8-16-10/h8-9H,2-7H2,1H3,(H2,15,17)
InChIKeyLUVJWKQZMRUXIV-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.30
Rot. Bonds3

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

3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 116743211) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID116743211
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCOC1(c2noc(-c3nccnc3N)n2)CCCCCC1
InChIInChI=1S/C14H19N5O2/c1-20-14(6-4-2-3-5-7-14)13-18-12(21-19-13)10-11(15)17-9-8-16-10/h8-9H,2-7H2,1H3,(H2,15,17)
InChIKeyLUVJWKQZMRUXIV-UHFFFAOYSA-N
XLogP2.30
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116743159
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 116743167
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116701531
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
2-[4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741659
5-bromo-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609673

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 116743211) is 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is COC1(c2noc(-c3nccnc3N)n2)CCCCCC1.
What is the InChIKey of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is LUVJWKQZMRUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-14(6-4-2-3-5-7-14)13-18-12(21-19-13)10-11(15)17-9-8-16-10/h8-9H,2-7H2,1H3,(H2,15,17).
What are the key properties of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 116743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).