2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol

C10H11N3O2 — CID 137002843

IUPAC2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC(N)c1noc(-c2ccccc2O)n1
InChIInChI=1S/C10H11N3O2/c1-6(11)9-12-10(15-13-9)7-4-2-3-5-8(7)14/h2-6,14H,11H2,1H3
InChIKeyHWMHHBOIUYJZFR-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.46
Rot. Bonds2

About 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol

2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137002843) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137002843
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC(N)c1noc(-c2ccccc2O)n1
InChIInChI=1S/C10H11N3O2/c1-6(11)9-12-10(15-13-9)7-4-2-3-5-8(7)14/h2-6,14H,11H2,1H3
InChIKeyHWMHHBOIUYJZFR-UHFFFAOYSA-N
XLogP1.46
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660556
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324177
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63049853
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325188

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137002843) is 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol is CC(N)c1noc(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is HWMHHBOIUYJZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(11)9-12-10(15-13-9)7-4-2-3-5-8(7)14/h2-6,14H,11H2,1H3.
What are the key properties of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 205.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137002843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).