2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride

C16H24ClN3O2 — CID 67585332

IUPAC2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride
SMILESCC(Cc1noc(CCCc2ccccc2)n1)C(N)CO.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(14(17)11-20)10-15-18-16(21-19-15)9-5-8-13-6-3-2-4-7-13;/h2-4,6-7,12,14,20H,5,8-11,17H2,1H3;1H
InChIKeyDLDZWUIDVPSJSX-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.16
Rot. Bonds8

About 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride

2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride (PubChem CID 67585332) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride
PubChem CID67585332
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride
SMILESCC(Cc1noc(CCCc2ccccc2)n1)C(N)CO.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(14(17)11-20)10-15-18-16(21-19-15)9-5-8-13-6-3-2-4-7-13;/h2-4,6-7,12,14,20H,5,8-11,17H2,1H3;1H
InChIKeyDLDZWUIDVPSJSX-UHFFFAOYSA-N
XLogP2.16
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride with MolForge

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Related Compounds

2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
CID 67586069
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342168
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
1-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634665
(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915658
2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61385059
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525067

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride (CID 67585332) is 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride is CC(Cc1noc(CCCc2ccccc2)n1)C(N)CO.Cl.
What is the InChIKey of 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride?
The InChIKey is DLDZWUIDVPSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(14(17)11-20)10-15-18-16(21-19-15)9-5-8-13-6-3-2-4-7-13;/h2-4,6-7,12,14,20H,5,8-11,17H2,1H3;1H.
What are the key properties of 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride?
2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride is sourced from PubChem (CID 67585332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).