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

C7H10ClN3O2 — CID 103881596

IUPAC2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CCl)no1
InChIInChI=1S/C7H10ClN3O2/c1-5-10-6(11-13-5)2-3-9-7(12)4-8/h2-4H2,1H3,(H,9,12)
InChIKeyAJHHPXLDNUOXHB-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.28
Rot. Bonds4

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

2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 103881596) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID103881596
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CCl)no1
InChIInChI=1S/C7H10ClN3O2/c1-5-10-6(11-13-5)2-3-9-7(12)4-8/h2-4H2,1H3,(H,9,12)
InChIKeyAJHHPXLDNUOXHB-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 103881596) is 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CCl)no1.
What is the InChIKey of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is AJHHPXLDNUOXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-5-10-6(11-13-5)2-3-9-7(12)4-8/h2-4H2,1H3,(H,9,12).
What are the key properties of 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 203.63 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 103881596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).