5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole

C15H20N2O2 — CID 63362147

IUPAC5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2noc(C(C)C)n2)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-5-7-13(8-6-12)18-9-14-16-15(11(3)4)19-17-14/h5-8,10-11H,9H2,1-4H3
InChIKeyUNDSGUQBEJVUOI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.90
Rot. Bonds5

About 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole

5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 63362147) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID63362147
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2noc(C(C)C)n2)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-5-7-13(8-6-12)18-9-14-16-15(11(3)4)19-17-14/h5-8,10-11H,9H2,1-4H3
InChIKeyUNDSGUQBEJVUOI-UHFFFAOYSA-N
XLogP3.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 63862752
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
CID 79794069
(1S)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107718894
(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 107719931
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306
3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 138049382

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole (CID 63362147) is 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole is CC(C)c1ccc(OCc2noc(C(C)C)n2)cc1.
What is the InChIKey of 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is UNDSGUQBEJVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12-5-7-13(8-6-12)18-9-14-16-15(11(3)4)19-17-14/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63362147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).