N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine

C18H24N2O2 — CID 56662457

IUPACN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
SMILESCCOc1cccc(-c2nc(CNC3CCCCC3)co2)c1
InChIInChI=1S/C18H24N2O2/c1-2-21-17-10-6-7-14(11-17)18-20-16(13-22-18)12-19-15-8-4-3-5-9-15/h6-7,10-11,13,15,19H,2-5,8-9,12H2,1H3
InChIKeyDWEUOPCEXFGJEN-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.16
Rot. Bonds6

About N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine

N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine (PubChem CID 56662457) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
PubChem CID56662457
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
SMILESCCOc1cccc(-c2nc(CNC3CCCCC3)co2)c1
InChIInChI=1S/C18H24N2O2/c1-2-21-17-10-6-7-14(11-17)18-20-16(13-22-18)12-19-15-8-4-3-5-9-15/h6-7,10-11,13,15,19H,2-5,8-9,12H2,1H3
InChIKeyDWEUOPCEXFGJEN-UHFFFAOYSA-N
XLogP4.16
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine (CID 56662457) is N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine is CCOc1cccc(-c2nc(CNC3CCCCC3)co2)c1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine?
The InChIKey is DWEUOPCEXFGJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-21-17-10-6-7-14(11-17)18-20-16(13-22-18)12-19-15-8-4-3-5-9-15/h6-7,10-11,13,15,19H,2-5,8-9,12H2,1H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine?
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine has a molecular weight of 300.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 56662457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).