ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate

C15H19N3O3 — CID 169161500

IUPACethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)CCCc1nc(-c2ncc(C)cc2C)no1
InChIInChI=1S/C15H19N3O3/c1-4-20-13(19)7-5-6-12-17-15(18-21-12)14-11(3)8-10(2)9-16-14/h8-9H,4-7H2,1-3H3
InChIKeyYZDBTCILBNPTLO-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.63
Rot. Bonds6

About ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate

ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate (PubChem CID 169161500) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate
PubChem CID169161500
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)CCCc1nc(-c2ncc(C)cc2C)no1
InChIInChI=1S/C15H19N3O3/c1-4-20-13(19)7-5-6-12-17-15(18-21-12)14-11(3)8-10(2)9-16-14/h8-9H,4-7H2,1-3H3
InChIKeyYZDBTCILBNPTLO-UHFFFAOYSA-N
XLogP2.63
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 113365700
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526680
3-(3,5-dimethyl-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655604
ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 134024394
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685966
ethyl 6-[3-[3-chloro-5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoate
CID 169161785
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
CID 17101301
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
ethyl 4-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]butanoate
CID 68841546
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide
CID 55670564

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate?
The IUPAC name of ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate (CID 169161500) is ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate?
The canonical SMILES for ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate is CCOC(=O)CCCc1nc(-c2ncc(C)cc2C)no1.
What is the InChIKey of ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate?
The InChIKey is YZDBTCILBNPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-20-13(19)7-5-6-12-17-15(18-21-12)14-11(3)8-10(2)9-16-14/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate?
ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate has a molecular weight of 289.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate is sourced from PubChem (CID 169161500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).