N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine

C18H25N3O — CID 119139010

IUPACN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C18H25N3O/c1-13-8-10-16(11-9-13)19-14(2)18-20-17(21-22-18)12-15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3
InChIKeyCFHBAOORQJETDJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine

N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 119139010) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID119139010
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C18H25N3O/c1-13-8-10-16(11-9-13)19-14(2)18-20-17(21-22-18)12-15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3
InChIKeyCFHBAOORQJETDJ-UHFFFAOYSA-N
XLogP3.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine (CID 119139010) is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NC(C)c2nc(Cc3ccccc3)no2)CC1.
What is the InChIKey of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is CFHBAOORQJETDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-8-10-16(11-9-13)19-14(2)18-20-17(21-22-18)12-15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3.
What are the key properties of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine?
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 119139010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).