2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide

C7H10ClN3O2 — CID 82109675

IUPAC2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)Cl)o1
InChIInChI=1S/C7H10ClN3O2/c1-3-5-10-11-7(13-5)9-6(12)4(2)8/h4H,3H2,1-2H3,(H,9,11,12)
InChIKeyBQQKRIHXTCZITL-UHFFFAOYSA-N
MW203.63 g/mol
LogP1.20
Rot. Bonds3

About 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide

2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 82109675) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID82109675
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)Cl)o1
InChIInChI=1S/C7H10ClN3O2/c1-3-5-10-11-7(13-5)9-6(12)4(2)8/h4H,3H2,1-2H3,(H,9,11,12)
InChIKeyBQQKRIHXTCZITL-UHFFFAOYSA-N
XLogP1.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 51.20
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-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide (CID 82109675) is 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide is CCc1nnc(NC(=O)C(C)Cl)o1.
What is the InChIKey of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is BQQKRIHXTCZITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-3-5-10-11-7(13-5)9-6(12)4(2)8/h4H,3H2,1-2H3,(H,9,11,12).
What are the key properties of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide?
2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 203.63 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 82109675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).