1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

C14H19N3O3 — CID 115532970

IUPAC1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCCOc1ccccc1-c1noc(CC(C)(O)CN)n1
InChIInChI=1S/C14H19N3O3/c1-3-19-11-7-5-4-6-10(11)13-16-12(20-17-13)8-14(2,18)9-15/h4-7,18H,3,8-9,15H2,1-2H3
InChIKeyXWSPJTYZFYTULS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.39
Rot. Bonds6

About 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (PubChem CID 115532970) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
PubChem CID115532970
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCCOc1ccccc1-c1noc(CC(C)(O)CN)n1
InChIInChI=1S/C14H19N3O3/c1-3-19-11-7-5-4-6-10(11)13-16-12(20-17-13)8-14(2,18)9-15/h4-7,18H,3,8-9,15H2,1-2H3
InChIKeyXWSPJTYZFYTULS-UHFFFAOYSA-N
XLogP1.39
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
1-amino-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002973
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
1-amino-3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66001189
2-bromo-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 25349628
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 115279656
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-benzamidobutanoate
CID 55492956
1-amino-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002577

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (CID 115532970) is 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is CCOc1ccccc1-c1noc(CC(C)(O)CN)n1.
What is the InChIKey of 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The InChIKey is XWSPJTYZFYTULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-19-11-7-5-4-6-10(11)13-16-12(20-17-13)8-14(2,18)9-15/h4-7,18H,3,8-9,15H2,1-2H3.
What are the key properties of 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol has a molecular weight of 277.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 115532970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).