[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine

C16H22N2O — CID 115444602

IUPAC[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine
SMILESCc1cccc2nc(C3(CN)CCCCCC3)oc12
InChIInChI=1S/C16H22N2O/c1-12-7-6-8-13-14(12)19-15(18-13)16(11-17)9-4-2-3-5-10-16/h6-8H,2-5,9-11,17H2,1H3
InChIKeyGWEOZJGLHNEBHG-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.69
Rot. Bonds2

About [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine

[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine (PubChem CID 115444602) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine
PubChem CID115444602
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine
SMILESCc1cccc2nc(C3(CN)CCCCCC3)oc12
InChIInChI=1S/C16H22N2O/c1-12-7-6-8-13-14(12)19-15(18-13)16(11-17)9-4-2-3-5-10-16/h6-8H,2-5,9-11,17H2,1H3
InChIKeyGWEOZJGLHNEBHG-UHFFFAOYSA-N
XLogP3.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 79601667
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597
[4-(7-bromo-1,3-benzoxazol-2-yl)oxan-4-yl]methanamine
CID 113310255
1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
CID 79602491
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444583
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
7-bromo-2-(3-ethylpyrrolidin-3-yl)-1,3-benzoxazole
CID 81495177
[1-(6-chloro-1,3-benzoxazol-2-yl)cyclobutyl]methanamine
CID 115446195
2-[1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
CID 79602585
[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
CID 113309244
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 117431185
[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436512

Frequently Asked Questions

What is the IUPAC name of [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine (CID 115444602) is [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine is Cc1cccc2nc(C3(CN)CCCCCC3)oc12.
What is the InChIKey of [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine?
The InChIKey is GWEOZJGLHNEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-7-6-8-13-14(12)19-15(18-13)16(11-17)9-4-2-3-5-10-16/h6-8H,2-5,9-11,17H2,1H3.
What are the key properties of [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine?
[1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methyl-1,3-benzoxazol-2-yl)cycloheptyl]methanamine is sourced from PubChem (CID 115444602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).