2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol

C12H16N4O2 — CID 106969771

IUPAC2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
SMILESCC(N)c1nnc(Nc2ccc(CCO)cc2)o1
InChIInChI=1S/C12H16N4O2/c1-8(13)11-15-16-12(18-11)14-10-4-2-9(3-5-10)6-7-17/h2-5,8,17H,6-7,13H2,1H3,(H,14,16)
InChIKeyWZPLTTIYZGRHFX-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.37
Rot. Bonds5

About 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol

2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol (PubChem CID 106969771) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
PubChem CID106969771
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
SMILESCC(N)c1nnc(Nc2ccc(CCO)cc2)o1
InChIInChI=1S/C12H16N4O2/c1-8(13)11-15-16-12(18-11)14-10-4-2-9(3-5-10)6-7-17/h2-5,8,17H,6-7,13H2,1H3,(H,14,16)
InChIKeyWZPLTTIYZGRHFX-UHFFFAOYSA-N
XLogP1.37
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol (CID 106969771) is 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol is CC(N)c1nnc(Nc2ccc(CCO)cc2)o1.
What is the InChIKey of 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol?
The InChIKey is WZPLTTIYZGRHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(13)11-15-16-12(18-11)14-10-4-2-9(3-5-10)6-7-17/h2-5,8,17H,6-7,13H2,1H3,(H,14,16).
What are the key properties of 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol?
2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol has a molecular weight of 248.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 106969771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).