1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C17H23N3O — CID 64672821

IUPAC1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc(CCc3ccccc3)no2)CCCCC1
InChIInChI=1S/C17H23N3O/c18-17(11-5-2-6-12-17)13-16-19-15(20-21-16)10-9-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,18H2
InChIKeyATGGUHBOKILWGO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds5

About 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 64672821) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID64672821
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc(CCc3ccccc3)no2)CCCCC1
InChIInChI=1S/C17H23N3O/c18-17(11-5-2-6-12-17)13-16-19-15(20-21-16)10-9-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,18H2
InChIKeyATGGUHBOKILWGO-UHFFFAOYSA-N
XLogP3.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 64672821) is 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is NC1(Cc2nc(CCc3ccccc3)no2)CCCCC1.
What is the InChIKey of 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is ATGGUHBOKILWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-17(11-5-2-6-12-17)13-16-19-15(20-21-16)10-9-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,18H2.
What are the key properties of 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64672821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).