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

C8H12ClN3O2 — CID 103881580

IUPAC2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(CCNC(=O)C(C)Cl)n1
InChIInChI=1S/C8H12ClN3O2/c1-5(9)8(13)10-4-3-7-11-6(2)12-14-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyUPBNVIIVGQMLEO-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.66
Rot. Bonds4

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

2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 103881580) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID103881580
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(CCNC(=O)C(C)Cl)n1
InChIInChI=1S/C8H12ClN3O2/c1-5(9)8(13)10-4-3-7-11-6(2)12-14-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyUPBNVIIVGQMLEO-UHFFFAOYSA-N
XLogP0.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.66
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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 103881580) is 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is Cc1noc(CCNC(=O)C(C)Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is UPBNVIIVGQMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5(9)8(13)10-4-3-7-11-6(2)12-14-7/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 217.66 g/mol, XLogP of 0.66, 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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103881580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).