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

C14H16N2O3 — CID 115495234

IUPAC1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
SMILESCCc1nnc(COc2ccc(CC(C)=O)cc2)o1
InChIInChI=1S/C14H16N2O3/c1-3-13-15-16-14(19-13)9-18-12-6-4-11(5-7-12)8-10(2)17/h4-7H,3,8-9H2,1-2H3
InChIKeyIRKWYPHZJWWXLN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.34
Rot. Bonds6

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

1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one (PubChem CID 115495234) 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-2-one.

Molecular Properties

Compound Name1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
PubChem CID115495234
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
SMILESCCc1nnc(COc2ccc(CC(C)=O)cc2)o1
InChIInChI=1S/C14H16N2O3/c1-3-13-15-16-14(19-13)9-18-12-6-4-11(5-7-12)8-10(2)17/h4-7H,3,8-9H2,1-2H3
InChIKeyIRKWYPHZJWWXLN-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495260
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
1-[4-(ethoxymethoxy)phenyl]propan-2-one
CID 115495404
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411
6-[[4-(2-oxopropyl)phenoxy]methyl]pyridine-3-carboxylic acid
CID 115493828

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one (CID 115495234) is 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one is CCc1nnc(COc2ccc(CC(C)=O)cc2)o1.
What is the InChIKey of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
The InChIKey is IRKWYPHZJWWXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-13-15-16-14(19-13)9-18-12-6-4-11(5-7-12)8-10(2)17/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.34, 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-2-one is sourced from PubChem (CID 115495234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).