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

C15H19N3O3 — CID 136872367

IUPAC2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCOC1(c2noc(-c3ccc(O)c(N)c3)n2)CCCC1
InChIInChI=1S/C15H19N3O3/c1-2-20-15(7-3-4-8-15)14-17-13(21-18-14)10-5-6-12(19)11(16)9-10/h5-6,9,19H,2-4,7-8,16H2,1H3
InChIKeyPIKZPWSJCADSBC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.83
Rot. Bonds4

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

2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136872367) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136872367
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCOC1(c2noc(-c3ccc(O)c(N)c3)n2)CCCC1
InChIInChI=1S/C15H19N3O3/c1-2-20-15(7-3-4-8-15)14-17-13(21-18-14)10-5-6-12(19)11(16)9-10/h5-6,9,19H,2-4,7-8,16H2,1H3
InChIKeyPIKZPWSJCADSBC-UHFFFAOYSA-N
XLogP2.83
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]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

[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741445
5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116781646
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795618
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
2-amino-4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872362
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116742281

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136872367) is 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol is CCOC1(c2noc(-c3ccc(O)c(N)c3)n2)CCCC1.
What is the InChIKey of 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is PIKZPWSJCADSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-20-15(7-3-4-8-15)14-17-13(21-18-14)10-5-6-12(19)11(16)9-10/h5-6,9,19H,2-4,7-8,16H2,1H3.
What are the key properties of 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 289.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136872367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).