3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol

C12H15N3O3 — CID 107921209

IUPAC3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(O)(CN)Cc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O3/c1-12(17,7-13)6-10-14-11(15-18-10)8-3-2-4-9(16)5-8/h2-5,16-17H,6-7,13H2,1H3
InChIKeyCNVRZNIXMAWYMI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.69
Rot. Bonds4

About 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921209) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921209
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(O)(CN)Cc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O3/c1-12(17,7-13)6-10-14-11(15-18-10)8-3-2-4-9(16)5-8/h2-5,16-17H,6-7,13H2,1H3
InChIKeyCNVRZNIXMAWYMI-UHFFFAOYSA-N
XLogP0.69
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002577
1-amino-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002973
3-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 107922321
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921078
1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66001189
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
1-amino-3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002187
1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 115532970

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921209) is 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol is CC(O)(CN)Cc1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is CNVRZNIXMAWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(17,7-13)6-10-14-11(15-18-10)8-3-2-4-9(16)5-8/h2-5,16-17H,6-7,13H2,1H3.
What are the key properties of 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 249.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).