[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine

C13H22N4O2 — CID 104963904

IUPAC[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(N3CCOCC3)no2)CC1
InChIInChI=1S/C13H22N4O2/c14-9-10-1-3-11(4-2-10)12-15-13(16-19-12)17-5-7-18-8-6-17/h10-11H,1-9,14H2
InChIKeyNVJMZLALIMYHLR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.14
Rot. Bonds3

About [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine

[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine (PubChem CID 104963904) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
PubChem CID104963904
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(N3CCOCC3)no2)CC1
InChIInChI=1S/C13H22N4O2/c14-9-10-1-3-11(4-2-10)12-15-13(16-19-12)17-5-7-18-8-6-17/h10-11H,1-9,14H2
InChIKeyNVJMZLALIMYHLR-UHFFFAOYSA-N
XLogP1.14
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine
CID 125437902
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 116807359
[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526334
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 114425032
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807444
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
[1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 116807476

Frequently Asked Questions

What is the IUPAC name of [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine (CID 104963904) is [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine is NCC1CCC(c2nc(N3CCOCC3)no2)CC1.
What is the InChIKey of [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
The InChIKey is NVJMZLALIMYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-9-10-1-3-11(4-2-10)12-15-13(16-19-12)17-5-7-18-8-6-17/h10-11H,1-9,14H2.
What are the key properties of [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 104963904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).