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

C11H13N3O2 — CID 115078870

IUPAC3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESNCCc1noc(Cc2cccc(O)c2)n1
InChIInChI=1S/C11H13N3O2/c12-5-4-10-13-11(16-14-10)7-8-2-1-3-9(15)6-8/h1-3,6,15H,4-5,7,12H2
InChIKeyKRUCGCCWRFUJIQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.87
Rot. Bonds4

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

3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 115078870) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID115078870
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESNCCc1noc(Cc2cccc(O)c2)n1
InChIInChI=1S/C11H13N3O2/c12-5-4-10-13-11(16-14-10)7-8-2-1-3-9(15)6-8/h1-3,6,15H,4-5,7,12H2
InChIKeyKRUCGCCWRFUJIQ-UHFFFAOYSA-N
XLogP0.87
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
3-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65133331
3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 115081504
2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335873
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
3-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116733802
3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083777
3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
3-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 103084122

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 115078870) is 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is NCCc1noc(Cc2cccc(O)c2)n1.
What is the InChIKey of 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is KRUCGCCWRFUJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-4-10-13-11(16-14-10)7-8-2-1-3-9(15)6-8/h1-3,6,15H,4-5,7,12H2.
What are the key properties of 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 219.24 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 115078870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).