1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

C18H19N3O2 — CID 10063936

IUPAC1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCOc1ccccc1Cc1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C18H19N3O2/c1-22-16-10-6-5-9-14(16)12-17-20-18(23-21-17)15(19)11-13-7-3-2-4-8-13/h2-10,15H,11-12,19H2,1H3
InChIKeyPTDJXRKPCGXIPV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.91
Rot. Bonds6

About 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 10063936) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID10063936
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCOc1ccccc1Cc1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C18H19N3O2/c1-22-16-10-6-5-9-14(16)12-17-20-18(23-21-17)15(19)11-13-7-3-2-4-8-13/h2-10,15H,11-12,19H2,1H3
InChIKeyPTDJXRKPCGXIPV-UHFFFAOYSA-N
XLogP2.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 10063936) is 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is COc1ccccc1Cc1noc(C(N)Cc2ccccc2)n1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is PTDJXRKPCGXIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-16-10-6-5-9-14(16)12-17-20-18(23-21-17)15(19)11-13-7-3-2-4-8-13/h2-10,15H,11-12,19H2,1H3.
What are the key properties of 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 309.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 10063936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).