[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane

C22H34N2O — CID 170752585

IUPAC[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane
SMILESCC1CCCC(C)(C)C1.CCc1ccccc1-c1nc(CN)c(C)o1
InChIInChI=1S/C13H16N2O.C9H18/c1-3-10-6-4-5-7-11(10)13-15-12(8-14)9(2)16-13;1-8-5-4-6-9(2,3)7-8/h4-7H,3,8,14H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyWXFTYGSVMDFRJN-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.89
Rot. Bonds3

About [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane

[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane (PubChem CID 170752585) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane
PubChem CID170752585
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane
SMILESCC1CCCC(C)(C)C1.CCc1ccccc1-c1nc(CN)c(C)o1
InChIInChI=1S/C13H16N2O.C9H18/c1-3-10-6-4-5-7-11(10)13-15-12(8-14)9(2)16-13;1-8-5-4-6-9(2,3)7-8/h4-7H,3,8,14H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyWXFTYGSVMDFRJN-UHFFFAOYSA-N
XLogP5.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane?
The IUPAC name of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane (CID 170752585) is [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane.
What is the SMILES notation for [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane?
The canonical SMILES for [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane is CC1CCCC(C)(C)C1.CCc1ccccc1-c1nc(CN)c(C)o1.
What is the InChIKey of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane?
The InChIKey is WXFTYGSVMDFRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C9H18/c1-3-10-6-4-5-7-11(10)13-15-12(8-14)9(2)16-13;1-8-5-4-6-9(2,3)7-8/h4-7H,3,8,14H2,1-2H3;8H,4-7H2,1-3H3.
What are the key properties of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane?
[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane has a molecular weight of 342.53 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane is sourced from PubChem (CID 170752585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).