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

C7H10ClN3O2 — CID 106395500

IUPAC3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(CCl)C(=O)NCc1ncon1
InChIInChI=1S/C7H10ClN3O2/c1-5(2-8)7(12)9-3-6-10-4-13-11-6/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyNJHDSOCTVFESNN-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.56
Rot. Bonds4

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

3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106395500) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106395500
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(CCl)C(=O)NCc1ncon1
InChIInChI=1S/C7H10ClN3O2/c1-5(2-8)7(12)9-3-6-10-4-13-11-6/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyNJHDSOCTVFESNN-UHFFFAOYSA-N
XLogP0.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.56
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 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106395500) is 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(CCl)C(=O)NCc1ncon1.
What is the InChIKey of 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is NJHDSOCTVFESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-5(2-8)7(12)9-3-6-10-4-13-11-6/h4-5H,2-3H2,1H3,(H,9,12).
What are the key properties of 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 203.63 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106395500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).