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

C14H16N2O3 — CID 28782339

IUPAC1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2nnc(CC)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-12(17)10-5-7-11(8-6-10)18-9-14-16-15-13(4-2)19-14/h5-8H,3-4,9H2,1-2H3
InChIKeyODFIYTPNQHKWER-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.80
Rot. Bonds6

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

1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one (PubChem CID 28782339) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
PubChem CID28782339
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2nnc(CC)o2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-12(17)10-5-7-11(8-6-10)18-9-14-16-15-13(4-2)19-14/h5-8H,3-4,9H2,1-2H3
InChIKeyODFIYTPNQHKWER-UHFFFAOYSA-N
XLogP2.80
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495234
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411
1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 113389828
2-[[5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
CID 2350649
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 43823601

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one (CID 28782339) is 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2nnc(CC)o2)cc1.
What is the InChIKey of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one?
The InChIKey is ODFIYTPNQHKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-12(17)10-5-7-11(8-6-10)18-9-14-16-15-13(4-2)19-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one?
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one has a molecular weight of 260.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 28782339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).