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

C13H18ClN3O2 — CID 67586069

IUPAC2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
SMILESCC(Cc1noc(-c2ccccc2)n1)C(N)CO.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-9(11(14)8-17)7-12-15-13(18-16-12)10-5-3-2-4-6-10;/h2-6,9,11,17H,7-8,14H2,1H3;1H
InChIKeyJFOUYGOECNTJEA-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.66
Rot. Bonds5

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

2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride (PubChem CID 67586069) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
PubChem CID67586069
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
SMILESCC(Cc1noc(-c2ccccc2)n1)C(N)CO.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-9(11(14)8-17)7-12-15-13(18-16-12)10-5-3-2-4-6-10;/h2-6,9,11,17H,7-8,14H2,1H3;1H
InChIKeyJFOUYGOECNTJEA-UHFFFAOYSA-N
XLogP1.66
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride
CID 67585332
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219467
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-amino-4-[5-[2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585074
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62020853
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115079631
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic acid
CID 66138702
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride (CID 67586069) is 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride is CC(Cc1noc(-c2ccccc2)n1)C(N)CO.Cl.
What is the InChIKey of 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride?
The InChIKey is JFOUYGOECNTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-9(11(14)8-17)7-12-15-13(18-16-12)10-5-3-2-4-6-10;/h2-6,9,11,17H,7-8,14H2,1H3;1H.
What are the key properties of 2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride?
2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.66, 5 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-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 67586069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).