2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol

C14H20N4O2 — CID 136712650

IUPAC2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(CC)CCc1noc(-c2cccc(N)c2O)n1
InChIInChI=1S/C14H20N4O2/c1-3-18(4-2)9-8-12-16-14(20-17-12)10-6-5-7-11(15)13(10)19/h5-7,19H,3-4,8-9,15H2,1-2H3
InChIKeySODAOZWBHSRONE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds6

About 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol

2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136712650) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136712650
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(CC)CCc1noc(-c2cccc(N)c2O)n1
InChIInChI=1S/C14H20N4O2/c1-3-18(4-2)9-8-12-16-14(20-17-12)10-6-5-7-11(15)13(10)19/h5-7,19H,3-4,8-9,15H2,1-2H3
InChIKeySODAOZWBHSRONE-UHFFFAOYSA-N
XLogP1.91
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
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'}

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Related Compounds

2-amino-6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712755
2-amino-6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712675
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
CID 106523607
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904374
2,4-dichloro-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43331551
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136983498

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol (CID 136712650) is 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol is CCN(CC)CCc1noc(-c2cccc(N)c2O)n1.
What is the InChIKey of 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SODAOZWBHSRONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-18(4-2)9-8-12-16-14(20-17-12)10-6-5-7-11(15)13(10)19/h5-7,19H,3-4,8-9,15H2,1-2H3.
What are the key properties of 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 276.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136712650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).