3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

C19H19N3O4 — CID 55487562

IUPAC3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCCCc3ccncc3)cc2)no1
InChIInChI=1S/C19H19N3O4/c1-14-21-18(22-26-14)13-25-17-6-4-16(5-7-17)19(23)24-12-2-3-15-8-10-20-11-9-15/h4-11H,2-3,12-13H2,1H3
InChIKeyUKNNLQCVINAIIE-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.14
Rot. Bonds8

About 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (PubChem CID 55487562) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Name3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
PubChem CID55487562
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCCCc3ccncc3)cc2)no1
InChIInChI=1S/C19H19N3O4/c1-14-21-18(22-26-14)13-25-17-6-4-16(5-7-17)19(23)24-12-2-3-15-8-10-20-11-9-15/h4-11H,2-3,12-13H2,1H3
InChIKeyUKNNLQCVINAIIE-UHFFFAOYSA-N
XLogP3.14
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenoxy)ethyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692359
3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
(6-chloro-3-pyridinyl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 34133472
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46543821
3-pyridin-4-ylpropyl 4-bromobenzoate
CID 52893750
ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 63862752
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
3-pyridin-4-ylpropyl 4-(methylsulfanylmethyl)benzoate
CID 86917993
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
(2-phenyl-1,3-oxazol-4-yl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 16603141

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The IUPAC name of 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (CID 55487562) is 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.
What is the SMILES notation for 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The canonical SMILES for 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is Cc1nc(COc2ccc(C(=O)OCCCc3ccncc3)cc2)no1.
What is the InChIKey of 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The InChIKey is UKNNLQCVINAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-14-21-18(22-26-14)13-25-17-6-4-16(5-7-17)19(23)24-12-2-3-15-8-10-20-11-9-15/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate has a molecular weight of 353.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 55487562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).