1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone

C15H18N2O3 — CID 47019668

IUPAC1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-10(2)8-14-16-15(20-17-14)9-19-13-6-4-12(5-7-13)11(3)18/h4-7,10H,8-9H2,1-3H3
InChIKeyLOPCIIRSRKDZBD-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.05
Rot. Bonds6

About 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone

1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 47019668) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
PubChem CID47019668
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-10(2)8-14-16-15(20-17-14)9-19-13-6-4-12(5-7-13)11(3)18/h4-7,10H,8-9H2,1-3H3
InChIKeyLOPCIIRSRKDZBD-UHFFFAOYSA-N
XLogP3.05
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
CID 43243859
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-iodobenzoate
CID 55522592
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(phenoxymethyl)benzoate
CID 55522496
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 47080376
3-(2-methylpropyl)-5-[(3-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 51081321
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
CID 110906702
methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60724693
1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea
CID 47085390
5-[(5-bromo-3-pyridinyl)oxymethyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 84599493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone (CID 47019668) is 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2nc(CC(C)C)no2)cc1.
What is the InChIKey of 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is LOPCIIRSRKDZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)8-14-16-15(20-17-14)9-19-13-6-4-12(5-7-13)11(3)18/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 47019668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).