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

C14H19N3O — CID 63350181

IUPAC1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1nc(CCc2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-2-12(15)10-14-16-13(17-18-14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3
InChIKeyZHDABHWTTWLVAJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds6

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

1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63350181) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63350181
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1nc(CCc2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-2-12(15)10-14-16-13(17-18-14)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3
InChIKeyZHDABHWTTWLVAJ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350491
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202025
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-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222546
(1S)-2-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113310656
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647862
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63350181) is 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(N)Cc1nc(CCc2ccccc2)no1.
What is the InChIKey of 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is ZHDABHWTTWLVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-12(15)10-14-16-13(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 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63350181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).