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

C18H27N3O2 — CID 119139102

IUPACN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine
SMILESCCCCC(COC)NC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H27N3O2/c1-4-5-11-16(13-22-3)19-14(2)18-20-17(21-23-18)12-15-9-7-6-8-10-15/h6-10,14,16,19H,4-5,11-13H2,1-3H3
InChIKeyHMKKFBNEMZTPML-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.52
Rot. Bonds10

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

N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine (PubChem CID 119139102) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine.

Molecular Properties

Compound NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine
PubChem CID119139102
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine
SMILESCCCCC(COC)NC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H27N3O2/c1-4-5-11-16(13-22-3)19-14(2)18-20-17(21-23-18)12-15-9-7-6-8-10-15/h6-10,14,16,19H,4-5,11-13H2,1-3H3
InChIKeyHMKKFBNEMZTPML-UHFFFAOYSA-N
XLogP3.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine?
The IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine (CID 119139102) is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine.
What is the SMILES notation for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine?
The canonical SMILES for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine is CCCCC(COC)NC(C)c1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine?
The InChIKey is HMKKFBNEMZTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-5-11-16(13-22-3)19-14(2)18-20-17(21-23-18)12-15-9-7-6-8-10-15/h6-10,14,16,19H,4-5,11-13H2,1-3H3.
What are the key properties of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine?
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine has a molecular weight of 317.43 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methoxyhexan-2-amine is sourced from PubChem (CID 119139102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).