1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C18H19N3O — CID 120859760

IUPAC1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(CCc3ccc4ccccc4c3)n2)CCC1
InChIInChI=1S/C18H19N3O/c19-18(10-3-11-18)17-20-16(22-21-17)9-7-13-6-8-14-4-1-2-5-15(14)12-13/h1-2,4-6,8,12H,3,7,9-11,19H2
InChIKeyMHJNMJNUGHXTLO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.35
Rot. Bonds4

About 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859760) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859760
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(CCc3ccc4ccccc4c3)n2)CCC1
InChIInChI=1S/C18H19N3O/c19-18(10-3-11-18)17-20-16(22-21-17)9-7-13-6-8-14-4-1-2-5-15(14)12-13/h1-2,4-6,8,12H,3,7,9-11,19H2
InChIKeyMHJNMJNUGHXTLO-UHFFFAOYSA-N
XLogP3.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859760) is 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(CCc3ccc4ccccc4c3)n2)CCC1.
What is the InChIKey of 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is MHJNMJNUGHXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-18(10-3-11-18)17-20-16(22-21-17)9-7-13-6-8-14-4-1-2-5-15(14)12-13/h1-2,4-6,8,12H,3,7,9-11,19H2.
What are the key properties of 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).