4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide

C8H12ClN3O2 — CID 106395468

IUPAC4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)CCCCl)no1
InChIInChI=1S/C8H12ClN3O2/c1-6-11-7(12-14-6)5-10-8(13)3-2-4-9/h2-5H2,1H3,(H,10,13)
InChIKeyWVSSJUWHOKVRSM-UHFFFAOYSA-N
MW217.66 g/mol
LogP1.01
Rot. Bonds5

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

4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide (PubChem CID 106395468) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
PubChem CID106395468
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)CCCCl)no1
InChIInChI=1S/C8H12ClN3O2/c1-6-11-7(12-14-6)5-10-8(13)3-2-4-9/h2-5H2,1H3,(H,10,13)
InChIKeyWVSSJUWHOKVRSM-UHFFFAOYSA-N
XLogP1.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide (CID 106395468) is 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide is Cc1nc(CNC(=O)CCCCl)no1.
What is the InChIKey of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The InChIKey is WVSSJUWHOKVRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-6-11-7(12-14-6)5-10-8(13)3-2-4-9/h2-5H2,1H3,(H,10,13).
What are the key properties of 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide has a molecular weight of 217.66 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide is sourced from PubChem (CID 106395468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).