4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide

C9H15N3O3 — CID 106409914

IUPAC4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESCC(O)CCC(=O)NCCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-7(13)2-3-9(14)10-5-4-8-11-6-15-12-8/h6-7,13H,2-5H2,1H3,(H,10,14)
InChIKeyBVOLECQGWUZFAF-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.11
Rot. Bonds6

About 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide

4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide (PubChem CID 106409914) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
PubChem CID106409914
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESCC(O)CCC(=O)NCCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-7(13)2-3-9(14)10-5-4-8-11-6-15-12-8/h6-7,13H,2-5H2,1H3,(H,10,14)
InChIKeyBVOLECQGWUZFAF-UHFFFAOYSA-N
XLogP-0.11
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide (CID 106409914) is 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide is CC(O)CCC(=O)NCCc1ncon1.
What is the InChIKey of 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The InChIKey is BVOLECQGWUZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7(13)2-3-9(14)10-5-4-8-11-6-15-12-8/h6-7,13H,2-5H2,1H3,(H,10,14).
What are the key properties of 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide has a molecular weight of 213.24 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 106409914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).