2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C14H19N3O — CID 65222546

IUPAC2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-2-12(10-15)14-16-13(17-18-14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3
InChIKeyJXCGZOQVYCYJLP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds6

About 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 65222546) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID65222546
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-2-12(10-15)14-16-13(17-18-14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3
InChIKeyJXCGZOQVYCYJLP-UHFFFAOYSA-N
XLogP2.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62675383
3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222594
(1S)-2-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113310656
2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61385059
(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915658
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685809
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
2-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103500449
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222711

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 65222546) is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(CN)c1nc(CCc2ccccc2)no1.
What is the InChIKey of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is JXCGZOQVYCYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-12(10-15)14-16-13(17-18-14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3.
What are the key properties of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 65222546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).