[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate

C13H13ClN2O3 — CID 78761992

IUPAC[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
SMILESCCCC(=O)OCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H13ClN2O3/c1-2-5-12(17)18-8-11-15-16-13(19-11)9-6-3-4-7-10(9)14/h3-4,6-7H,2,5,8H2,1H3
InChIKeyLZYHUAUWVZUPDY-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.23
Rot. Bonds5

About [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate (PubChem CID 78761992) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
PubChem CID78761992
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
SMILESCCCC(=O)OCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H13ClN2O3/c1-2-5-12(17)18-8-11-15-16-13(19-11)9-6-3-4-7-10(9)14/h3-4,6-7H,2,5,8H2,1H3
InChIKeyLZYHUAUWVZUPDY-UHFFFAOYSA-N
XLogP3.23
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl hexanoate
CID 78759935
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-dimethylbutanoate
CID 78760319
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760380
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
CID 78760443
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 41209311
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
CID 78825656
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 78860670
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
CID 53352461

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate?
The IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate (CID 78761992) is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate?
The canonical SMILES for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate is CCCC(=O)OCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate?
The InChIKey is LZYHUAUWVZUPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-5-12(17)18-8-11-15-16-13(19-11)9-6-3-4-7-10(9)14/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate?
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate has a molecular weight of 280.71 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate is sourced from PubChem (CID 78761992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).