1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine

C18H19N3O — CID 110653660

IUPAC1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(15-8-4-2-5-9-15)19-13-12-17-20-21-18(22-17)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3
InChIKeyWSYNNCDEINIPMT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.63
Rot. Bonds6

About 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine

1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine (PubChem CID 110653660) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
PubChem CID110653660
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(15-8-4-2-5-9-15)19-13-12-17-20-21-18(22-17)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3
InChIKeyWSYNNCDEINIPMT-UHFFFAOYSA-N
XLogP3.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164161
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
CID 110653635
3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 110653706
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine (CID 110653660) is 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine is CC(NCCc1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The InChIKey is WSYNNCDEINIPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(15-8-4-2-5-9-15)19-13-12-17-20-21-18(22-17)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3.
What are the key properties of 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine has a molecular weight of 293.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 110653660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).