[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

C15H20N2O — CID 79524790

IUPAC[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESCc1ccc2nc(C3CCC(CN)CC3)oc2c1
InChIInChI=1S/C15H20N2O/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2,7-8,11-12H,3-6,9,16H2,1H3
InChIKeySJQOBTMOZRTBGE-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.37
Rot. Bonds2

About [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (PubChem CID 79524790) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
PubChem CID79524790
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESCc1ccc2nc(C3CCC(CN)CC3)oc2c1
InChIInChI=1S/C15H20N2O/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2,7-8,11-12H,3-6,9,16H2,1H3
InChIKeySJQOBTMOZRTBGE-UHFFFAOYSA-N
XLogP3.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (CID 79524790) is [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is Cc1ccc2nc(C3CCC(CN)CC3)oc2c1.
What is the InChIKey of [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The InChIKey is SJQOBTMOZRTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2,7-8,11-12H,3-6,9,16H2,1H3.
What are the key properties of [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79524790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).