3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

C13H17N3O3 — CID 107837364

IUPAC3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCOC(c1ccccc1)c1noc(C(O)CCN)n1
InChIInChI=1S/C13H17N3O3/c1-18-11(9-5-3-2-4-6-9)12-15-13(19-16-12)10(17)7-8-14/h2-6,10-11,17H,7-8,14H2,1H3
InChIKeyNYFSZQMSJPLKSC-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.19
Rot. Bonds6

About 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 107837364) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID107837364
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCOC(c1ccccc1)c1noc(C(O)CCN)n1
InChIInChI=1S/C13H17N3O3/c1-18-11(9-5-3-2-4-6-9)12-15-13(19-16-12)10(17)7-8-14/h2-6,10-11,17H,7-8,14H2,1H3
InChIKeyNYFSZQMSJPLKSC-UHFFFAOYSA-N
XLogP1.19
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116743749
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
N-[1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116781498
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116743682
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
[5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116743678
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 116744207

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 107837364) is 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is COC(c1ccccc1)c1noc(C(O)CCN)n1.
What is the InChIKey of 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is NYFSZQMSJPLKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-11(9-5-3-2-4-6-9)12-15-13(19-16-12)10(17)7-8-14/h2-6,10-11,17H,7-8,14H2,1H3.
What are the key properties of 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 263.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107837364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).