3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol

C15H21N3O2 — CID 133483185

IUPAC3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-3-11(4-2)13(19)10-16-15-17-14(20-18-15)12-8-6-5-7-9-12/h5-9,11,13,19H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyOEALOZOGVWWLJU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.95
Rot. Bonds7

About 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol

3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol (PubChem CID 133483185) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
PubChem CID133483185
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-3-11(4-2)13(19)10-16-15-17-14(20-18-15)12-8-6-5-7-9-12/h5-9,11,13,19H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyOEALOZOGVWWLJU-UHFFFAOYSA-N
XLogP2.95
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol (CID 133483185) is 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol is CCC(CC)C(O)CNc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
The InChIKey is OEALOZOGVWWLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-11(4-2)13(19)10-16-15-17-14(20-18-15)12-8-6-5-7-9-12/h5-9,11,13,19H,3-4,10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 133483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).