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

C7H10ClN3O2 — CID 106395502

IUPAC4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESO=C(CCCCl)NCc1ncon1
InChIInChI=1S/C7H10ClN3O2/c8-3-1-2-7(12)9-4-6-10-5-13-11-6/h5H,1-4H2,(H,9,12)
InChIKeyVTMFZBUXWCDMHA-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.70
Rot. Bonds5

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

4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (PubChem CID 106395502) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
PubChem CID106395502
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESO=C(CCCCl)NCc1ncon1
InChIInChI=1S/C7H10ClN3O2/c8-3-1-2-7(12)9-4-6-10-5-13-11-6/h5H,1-4H2,(H,9,12)
InChIKeyVTMFZBUXWCDMHA-UHFFFAOYSA-N
XLogP0.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 103670378
N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropanecarboxamide
CID 103670407
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 103670410
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103825929
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106395460
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
5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
CID 106395493
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106395498
3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395500
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The IUPAC name of 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (CID 106395502) is 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The canonical SMILES for 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is O=C(CCCCl)NCc1ncon1.
What is the InChIKey of 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The InChIKey is VTMFZBUXWCDMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-3-1-2-7(12)9-4-6-10-5-13-11-6/h5H,1-4H2,(H,9,12).
What are the key properties of 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide has a molecular weight of 203.63 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is sourced from PubChem (CID 106395502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).