2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate

C12H11ClN2O3 — CID 151970918

IUPAC2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
SMILESCC(=O)OCCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O3/c1-8(16)17-6-5-11-14-12(18-15-11)9-3-2-4-10(13)7-9/h2-4,7H,5-6H2,1H3
InChIKeyUAQPNKVCEZACCQ-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.50
Rot. Bonds4

About 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate

2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate (PubChem CID 151970918) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
PubChem CID151970918
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
SMILESCC(=O)OCCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O3/c1-8(16)17-6-5-11-14-12(18-15-11)9-3-2-4-10(13)7-9/h2-4,7H,5-6H2,1H3
InChIKeyUAQPNKVCEZACCQ-UHFFFAOYSA-N
XLogP2.50
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
CID 99589110
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 27211176
(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 95062335
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115079227
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155535519
2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049021
4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carbothioic S-acid
CID 91120942
3-tert-butyl-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 143176683
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate?
The IUPAC name of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate (CID 151970918) is 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate is CC(=O)OCCc1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate?
The InChIKey is UAQPNKVCEZACCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-8(16)17-6-5-11-14-12(18-15-11)9-3-2-4-10(13)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate?
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate has a molecular weight of 266.68 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate is sourced from PubChem (CID 151970918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).