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

C14H19N3O2 — CID 135755729

IUPAC4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCCN(CC)CCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C14H19N3O2/c1-3-17(4-2)10-9-13-15-14(16-19-13)11-5-7-12(18)8-6-11/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyBUSRSWRLJGDITE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds6

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

4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135755729) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135755729
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCCN(CC)CCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C14H19N3O2/c1-3-17(4-2)10-9-13-15-14(16-19-13)11-5-7-12(18)8-6-11/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyBUSRSWRLJGDITE-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol (CID 135755729) is 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol is CCN(CC)CCc1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is BUSRSWRLJGDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-17(4-2)10-9-13-15-14(16-19-13)11-5-7-12(18)8-6-11/h5-8,18H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol?
4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 261.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135755729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).