5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C15H20N4O2 — CID 116743414

IUPAC5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOC(c1noc(-c2cncc(N)c2)n1)C1CCCCC1
InChIInChI=1S/C15H20N4O2/c1-20-13(10-5-3-2-4-6-10)14-18-15(21-19-14)11-7-12(16)9-17-8-11/h7-10,13H,2-6,16H2,1H3
InChIKeyKHJXHXSYVSUFTD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.98
Rot. Bonds4

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

5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 116743414) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID116743414
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCOC(c1noc(-c2cncc(N)c2)n1)C1CCCCC1
InChIInChI=1S/C15H20N4O2/c1-20-13(10-5-3-2-4-6-10)14-18-15(21-19-14)11-7-12(16)9-17-8-11/h7-10,13H,2-6,16H2,1H3
InChIKeyKHJXHXSYVSUFTD-UHFFFAOYSA-N
XLogP2.98
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703574
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743692
4-bromo-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703407
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209288
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 116703317
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116743548
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527338
1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
CID 116743518
4-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703850

Frequently Asked Questions

What is the IUPAC name of 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 116743414) is 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is COC(c1noc(-c2cncc(N)c2)n1)C1CCCCC1.
What is the InChIKey of 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is KHJXHXSYVSUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-13(10-5-3-2-4-6-10)14-18-15(21-19-14)11-7-12(16)9-17-8-11/h7-10,13H,2-6,16H2,1H3.
What are the key properties of 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 288.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 116743414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).