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

C6H8ClN3O2 — CID 106395491

IUPAC3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESO=C(CCCl)NCc1ncon1
InChIInChI=1S/C6H8ClN3O2/c7-2-1-6(11)8-3-5-9-4-12-10-5/h4H,1-3H2,(H,8,11)
InChIKeyNLLOCXBRBJFRIB-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.31
Rot. Bonds4

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

3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106395491) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106395491
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESO=C(CCCl)NCc1ncon1
InChIInChI=1S/C6H8ClN3O2/c7-2-1-6(11)8-3-5-9-4-12-10-5/h4H,1-3H2,(H,8,11)
InChIKeyNLLOCXBRBJFRIB-UHFFFAOYSA-N
XLogP0.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.31
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

N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
5-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106395564
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
[3-(1,2,4-oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106391378
2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409894
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401316
2-(cyclopentylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396900
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106395491) is 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is O=C(CCCl)NCc1ncon1.
What is the InChIKey of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is NLLOCXBRBJFRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c7-2-1-6(11)8-3-5-9-4-12-10-5/h4H,1-3H2,(H,8,11).
What are the key properties of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 189.60 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106395491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).