ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

C15H18N2O4 — CID 63862752

IUPACethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2noc(C(C)C)n2)cc1
InChIInChI=1S/C15H18N2O4/c1-4-19-15(18)11-5-7-12(8-6-11)20-9-13-16-14(10(2)3)21-17-13/h5-8,10H,4,9H2,1-3H3
InChIKeyUORKAGFQUUKJOT-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.95
Rot. Bonds6

About ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (PubChem CID 63862752) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
PubChem CID63862752
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2noc(C(C)C)n2)cc1
InChIInChI=1S/C15H18N2O4/c1-4-19-15(18)11-5-7-12(8-6-11)20-9-13-16-14(10(2)3)21-17-13/h5-8,10H,4,9H2,1-3H3
InChIKeyUORKAGFQUUKJOT-UHFFFAOYSA-N
XLogP2.95
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate with MolForge

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Related Compounds

ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
CID 79794069
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 55487562
2-(2,6-dimethylphenoxy)ethyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 46692359
(1S)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107718894
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 107719931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (CID 63862752) is ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2noc(C(C)C)n2)cc1.
What is the InChIKey of ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The InChIKey is UORKAGFQUUKJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-19-15(18)11-5-7-12(8-6-11)20-9-13-16-14(10(2)3)21-17-13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate has a molecular weight of 290.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 63862752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).