5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide

C8H12ClN3O2 — CID 106395493

IUPAC5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
SMILESO=C(CCCCCl)NCc1ncon1
InChIInChI=1S/C8H12ClN3O2/c9-4-2-1-3-8(13)10-5-7-11-6-14-12-7/h6H,1-5H2,(H,10,13)
InChIKeyDYHOFWCGVQIGGI-UHFFFAOYSA-N
MW217.66 g/mol
LogP1.09
Rot. Bonds6

About 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide

5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide (PubChem CID 106395493) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
PubChem CID106395493
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
SMILESO=C(CCCCCl)NCc1ncon1
InChIInChI=1S/C8H12ClN3O2/c9-4-2-1-3-8(13)10-5-7-11-6-14-12-7/h6H,1-5H2,(H,10,13)
InChIKeyDYHOFWCGVQIGGI-UHFFFAOYSA-N
XLogP1.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 51.09
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

3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide
CID 167184836
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61014099
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103825929
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106395468
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395500
4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106395502
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395504
3-chloro-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395513
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
CID 106395519
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106395529
3-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395562

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The IUPAC name of 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide (CID 106395493) is 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide is O=C(CCCCCl)NCc1ncon1.
What is the InChIKey of 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The InChIKey is DYHOFWCGVQIGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c9-4-2-1-3-8(13)10-5-7-11-6-14-12-7/h6H,1-5H2,(H,10,13).
What are the key properties of 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide has a molecular weight of 217.66 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106395493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).