1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride

C13H18ClN3O — CID 119947668

IUPAC1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1nc(CCc2ccccc2)no1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-10(14)9-13-15-12(16-17-13)8-7-11-5-3-2-4-6-11;/h2-6,10H,7-9,14H2,1H3;1H
InChIKeyKVYVNYOQJLJLDU-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.17
Rot. Bonds5

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

1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride (PubChem CID 119947668) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
PubChem CID119947668
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1nc(CCc2ccccc2)no1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-10(14)9-13-15-12(16-17-13)8-7-11-5-3-2-4-6-11;/h2-6,10H,7-9,14H2,1H3;1H
InChIKeyKVYVNYOQJLJLDU-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
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
(1S)-2-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113310656
3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 115081504
2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride
CID 67585332
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350491
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62675383
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
(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]propan-2-amine;hydrochloride?
The IUPAC name of 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride (CID 119947668) is 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride is CC(N)Cc1nc(CCc2ccccc2)no1.Cl.
What is the InChIKey of 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride?
The InChIKey is KVYVNYOQJLJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-10(14)9-13-15-12(16-17-13)8-7-11-5-3-2-4-6-11;/h2-6,10H,7-9,14H2,1H3;1H.
What are the key properties of 1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride?
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.17, 5 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]propan-2-amine;hydrochloride is sourced from PubChem (CID 119947668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).