3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide

C11H10ClN3O3 — CID 71852257

IUPAC3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide
SMILESNC(=O)CCOc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)10-14-11(18-15-10)17-6-5-9(13)16/h1-4H,5-6H2,(H2,13,16)
InChIKeyITZSGWBJJXTGJL-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.64
Rot. Bonds5

About 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide

3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide (PubChem CID 71852257) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide
PubChem CID71852257
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide
SMILESNC(=O)CCOc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)10-14-11(18-15-10)17-6-5-9(13)16/h1-4H,5-6H2,(H2,13,16)
InChIKeyITZSGWBJJXTGJL-UHFFFAOYSA-N
XLogP1.64
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole
CID 56527895
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
3-(2-chlorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxy]-1,2,4-oxadiazole
CID 60619321
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide
CID 110323942
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole
CID 136551887
2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole
CID 52849087
3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole
CID 99806573
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate
CID 9414870
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 60619291
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide?
The IUPAC name of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide (CID 71852257) is 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide?
The canonical SMILES for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide is NC(=O)CCOc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide?
The InChIKey is ITZSGWBJJXTGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)10-14-11(18-15-10)17-6-5-9(13)16/h1-4H,5-6H2,(H2,13,16).
What are the key properties of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide?
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide has a molecular weight of 267.67 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]propanamide is sourced from PubChem (CID 71852257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).