[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

C15H20N2O2 — CID 114764869

IUPAC[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESCOc1cccc2oc(C3CCCCC3CN)nc12
InChIInChI=1S/C15H20N2O2/c1-18-12-7-4-8-13-14(12)17-15(19-13)11-6-3-2-5-10(11)9-16/h4,7-8,10-11H,2-3,5-6,9,16H2,1H3
InChIKeyBMJIAJDBCCSABE-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.07
Rot. Bonds3

About [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (PubChem CID 114764869) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
PubChem CID114764869
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESCOc1cccc2oc(C3CCCCC3CN)nc12
InChIInChI=1S/C15H20N2O2/c1-18-12-7-4-8-13-14(12)17-15(19-13)11-6-3-2-5-10(11)9-16/h4,7-8,10-11H,2-3,5-6,9,16H2,1H3
InChIKeyBMJIAJDBCCSABE-UHFFFAOYSA-N
XLogP3.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 114764930
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905
2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine
CID 114764980
4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
CID 114764868
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
CID 114765025
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (CID 114764869) is [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is COc1cccc2oc(C3CCCCC3CN)nc12.
What is the InChIKey of [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The InChIKey is BMJIAJDBCCSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-12-7-4-8-13-14(12)17-15(19-13)11-6-3-2-5-10(11)9-16/h4,7-8,10-11H,2-3,5-6,9,16H2,1H3.
What are the key properties of [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114764869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).