[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C17H23N3O2 — CID 117485620

IUPAC[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1ccc(-c2noc(CN)n2)cc1C1CCC(C)CC1
InChIInChI=1S/C17H23N3O2/c1-11-3-5-12(6-4-11)14-9-13(7-8-15(14)21-2)17-19-16(10-18)22-20-17/h7-9,11-12H,3-6,10,18H2,1-2H3
InChIKeyRYGFFVFEQAHAJE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.50
Rot. Bonds4

About [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117485620) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117485620
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1ccc(-c2noc(CN)n2)cc1C1CCC(C)CC1
InChIInChI=1S/C17H23N3O2/c1-11-3-5-12(6-4-11)14-9-13(7-8-15(14)21-2)17-19-16(10-18)22-20-17/h7-9,11-12H,3-6,10,18H2,1-2H3
InChIKeyRYGFFVFEQAHAJE-UHFFFAOYSA-N
XLogP3.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117489651
[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358630
2-[3-(3-ethyl-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96662993
[3-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117412205
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
[3-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117447663
1-cyclopropyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine;hydrochloride
CID 119948113
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
[3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346150
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765

Frequently Asked Questions

What is the IUPAC name of [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117485620) is [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is COc1ccc(-c2noc(CN)n2)cc1C1CCC(C)CC1.
What is the InChIKey of [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is RYGFFVFEQAHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-3-5-12(6-4-11)14-9-13(7-8-15(14)21-2)17-19-16(10-18)22-20-17/h7-9,11-12H,3-6,10,18H2,1-2H3.
What are the key properties of [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117485620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).