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

C7H10ClN3O2 — CID 106395575

IUPAC2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(Cl)C(=O)NCCc1ncon1
InChIInChI=1S/C7H10ClN3O2/c1-5(8)7(12)9-3-2-6-10-4-13-11-6/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyNDRLTYSOPWFDAT-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.36
Rot. Bonds4

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

2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 106395575) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID106395575
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(Cl)C(=O)NCCc1ncon1
InChIInChI=1S/C7H10ClN3O2/c1-5(8)7(12)9-3-2-6-10-4-13-11-6/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyNDRLTYSOPWFDAT-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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

(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
(2S,3R)-3-hydroxy-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 114184521
6-amino-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397604
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
2,3-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 106395575) is 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is CC(Cl)C(=O)NCCc1ncon1.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is NDRLTYSOPWFDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-5(8)7(12)9-3-2-6-10-4-13-11-6/h4-5H,2-3H2,1H3,(H,9,12).
What are the key properties of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 203.63 g/mol, XLogP of 0.36, 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-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 106395575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).