[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine

C16H22N2O2 — CID 102696737

IUPAC[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCOc1ccc2oc(C3(CN)CCC(C)CC3)nc2c1
InChIInChI=1S/C16H22N2O2/c1-11-5-7-16(10-17,8-6-11)15-18-13-9-12(19-2)3-4-14(13)20-15/h3-4,9,11H,5-8,10,17H2,1-2H3
InChIKeyGPXXZAWIFVSQBV-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.24
Rot. Bonds3

About [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine

[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 102696737) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID102696737
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCOc1ccc2oc(C3(CN)CCC(C)CC3)nc2c1
InChIInChI=1S/C16H22N2O2/c1-11-5-7-16(10-17,8-6-11)15-18-13-9-12(19-2)3-4-14(13)20-15/h3-4,9,11H,5-8,10,17H2,1-2H3
InChIKeyGPXXZAWIFVSQBV-UHFFFAOYSA-N
XLogP3.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
CID 102696699
[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
CID 115451004
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
CID 102696482
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 83859186

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine (CID 102696737) is [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine is COc1ccc2oc(C3(CN)CCC(C)CC3)nc2c1.
What is the InChIKey of [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is GPXXZAWIFVSQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-7-16(10-17,8-6-11)15-18-13-9-12(19-2)3-4-14(13)20-15/h3-4,9,11H,5-8,10,17H2,1-2H3.
What are the key properties of [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine?
[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 274.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 102696737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).