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

C15H20N4O2 — CID 116743136

IUPAC5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOC1(c2noc(-c3cncc(N)c3)n2)CCCCCC1
InChIInChI=1S/C15H20N4O2/c1-20-15(6-4-2-3-5-7-15)14-18-13(21-19-14)11-8-12(16)10-17-9-11/h8-10H,2-7,16H2,1H3
InChIKeyQVXYPYMVMONTSN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.91
Rot. Bonds3

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

5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 116743136) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID116743136
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOC1(c2noc(-c3cncc(N)c3)n2)CCCCCC1
InChIInChI=1S/C15H20N4O2/c1-20-15(6-4-2-3-5-7-15)14-18-13(21-19-14)11-8-12(16)10-17-9-11/h8-10H,2-7,16H2,1H3
InChIKeyQVXYPYMVMONTSN-UHFFFAOYSA-N
XLogP2.91
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
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
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
5-bromo-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609673
5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 146143440

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 116743136) is 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is COC1(c2noc(-c3cncc(N)c3)n2)CCCCCC1.
What is the InChIKey of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is QVXYPYMVMONTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-15(6-4-2-3-5-7-15)14-18-13(21-19-14)11-8-12(16)10-17-9-11/h8-10H,2-7,16H2,1H3.
What are the key properties of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 288.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 116743136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).