3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine

C15H18N2O2 — CID 114764930

IUPAC3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCOc1cccc2oc(C3C4CCC(C4)C3N)nc12
InChIInChI=1S/C15H18N2O2/c1-18-10-3-2-4-11-14(10)17-15(19-11)12-8-5-6-9(7-8)13(12)16/h2-4,8-9,12-13H,5-7,16H2,1H3
InChIKeyJREPDMAKELAVCF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds2

About 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine

3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 114764930) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID114764930
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCOc1cccc2oc(C3C4CCC(C4)C3N)nc12
InChIInChI=1S/C15H18N2O2/c1-18-10-3-2-4-11-14(10)17-15(19-11)12-8-5-6-9(7-8)13(12)16/h2-4,8-9,12-13H,5-7,16H2,1H3
InChIKeyJREPDMAKELAVCF-UHFFFAOYSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 114764869
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905
4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
CID 114764868
4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
CID 114765025
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
CID 114764907
2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114764858
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 66032788
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate
CID 135000177

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 114764930) is 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine is COc1cccc2oc(C3C4CCC(C4)C3N)nc12.
What is the InChIKey of 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is JREPDMAKELAVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-10-3-2-4-11-14(10)17-15(19-11)12-8-5-6-9(7-8)13(12)16/h2-4,8-9,12-13H,5-7,16H2,1H3.
What are the key properties of 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine?
3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114764930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).