2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine

C15H20N2O2 — CID 102696699

IUPAC2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCOc1ccc2oc(C3(C)CCCCC3N)nc2c1
InChIInChI=1S/C15H20N2O2/c1-15(8-4-3-5-13(15)16)14-17-11-9-10(18-2)6-7-12(11)19-14/h6-7,9,13H,3-5,8,16H2,1-2H3
InChIKeyMAIOSXXWRIMPFZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.00
Rot. Bonds2

About 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine

2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 102696699) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID102696699
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCOc1ccc2oc(C3(C)CCCCC3N)nc2c1
InChIInChI=1S/C15H20N2O2/c1-15(8-4-3-5-13(15)16)14-17-11-9-10(18-2)6-7-12(11)19-14/h6-7,9,13H,3-5,8,16H2,1-2H3
InChIKeyMAIOSXXWRIMPFZ-UHFFFAOYSA-N
XLogP3.00
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine (CID 102696699) is 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine is COc1ccc2oc(C3(C)CCCCC3N)nc2c1.
What is the InChIKey of 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is MAIOSXXWRIMPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(8-4-3-5-13(15)16)14-17-11-9-10(18-2)6-7-12(11)19-14/h6-7,9,13H,3-5,8,16H2,1-2H3.
What are the key properties of 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 102696699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).