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

C16H21N3O — CID 56770489

IUPAC[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1ccc(-c2noc(C3CCC(CN)CC3)n2)cc1
InChIInChI=1S/C16H21N3O/c1-11-2-6-13(7-3-11)15-18-16(20-19-15)14-8-4-12(10-17)5-9-14/h2-3,6-7,12,14H,4-5,8-10,17H2,1H3
InChIKeyWEMYUFZKHBZEAH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds3

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

[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 56770489) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID56770489
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1ccc(-c2noc(C3CCC(CN)CC3)n2)cc1
InChIInChI=1S/C16H21N3O/c1-11-2-6-13(7-3-11)15-18-16(20-19-15)14-8-4-12(10-17)5-9-14/h2-3,6-7,12,14H,4-5,8-10,17H2,1H3
InChIKeyWEMYUFZKHBZEAH-UHFFFAOYSA-N
XLogP3.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323133
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104797956
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342
[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770532
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
CID 146425401
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
CID 3100638

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 56770489) is [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is Cc1ccc(-c2noc(C3CCC(CN)CC3)n2)cc1.
What is the InChIKey of [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is WEMYUFZKHBZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-2-6-13(7-3-11)15-18-16(20-19-15)14-8-4-12(10-17)5-9-14/h2-3,6-7,12,14H,4-5,8-10,17H2,1H3.
What are the key properties of [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 56770489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).