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

C9H14ClN3O2 — CID 106395564

IUPAC5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESO=C(CCCCCl)NCCc1ncon1
InChIInChI=1S/C9H14ClN3O2/c10-5-2-1-3-9(14)11-6-4-8-12-7-15-13-8/h7H,1-6H2,(H,11,14)
InChIKeyLYAUFCSCYJPKMH-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.14
Rot. Bonds7

About 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide

5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide (PubChem CID 106395564) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
PubChem CID106395564
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESO=C(CCCCCl)NCCc1ncon1
InChIInChI=1S/C9H14ClN3O2/c10-5-2-1-3-9(14)11-6-4-8-12-7-15-13-8/h7H,1-6H2,(H,11,14)
InChIKeyLYAUFCSCYJPKMH-UHFFFAOYSA-N
XLogP1.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103825929
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
CID 106395493
4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106395502
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106395529
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106395539
3-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395562
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106395569
3-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395571
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106395573
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
3-chloro-2,2-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395583

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide (CID 106395564) is 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide is O=C(CCCCCl)NCCc1ncon1.
What is the InChIKey of 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The InChIKey is LYAUFCSCYJPKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-5-2-1-3-9(14)11-6-4-8-12-7-15-13-8/h7H,1-6H2,(H,11,14).
What are the key properties of 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide has a molecular weight of 231.68 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 106395564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).