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

C12H16N4O2 — CID 136994349

IUPAC5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(CC)c1noc(-c2ccc(N)cc2O)n1
InChIInChI=1S/C12H16N4O2/c1-3-16(4-2)12-14-11(18-15-12)9-6-5-8(13)7-10(9)17/h5-7,17H,3-4,13H2,1-2H3
InChIKeyYBDACHDTJUEBMO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.87
Rot. Bonds4

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

5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136994349) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136994349
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(CC)c1noc(-c2ccc(N)cc2O)n1
InChIInChI=1S/C12H16N4O2/c1-3-16(4-2)12-14-11(18-15-12)9-6-5-8(13)7-10(9)17/h5-7,17H,3-4,13H2,1-2H3
InChIKeyYBDACHDTJUEBMO-UHFFFAOYSA-N
XLogP1.87
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136994382
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136983449
5-(4-amino-3-nitrophenyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806147
5-[3-amino-5-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806385
3-chloro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 61398974
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847082
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
CID 136689049
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994463
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886124

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol (CID 136994349) is 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol is CCN(CC)c1noc(-c2ccc(N)cc2O)n1.
What is the InChIKey of 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is YBDACHDTJUEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-16(4-2)12-14-11(18-15-12)9-6-5-8(13)7-10(9)17/h5-7,17H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol?
5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 248.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136994349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).