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

C13H16N2O3 — CID 43503683

IUPAC1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
SMILESCCc1nnc(COc2ccc(C(C)O)cc2)o1
InChIInChI=1S/C13H16N2O3/c1-3-12-14-15-13(18-12)8-17-11-6-4-10(5-7-11)9(2)16/h4-7,9,16H,3,8H2,1-2H3
InChIKeyBQLRITIFZJWUQL-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.26
Rot. Bonds5

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

1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 43503683) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
PubChem CID43503683
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
SMILESCCc1nnc(COc2ccc(C(C)O)cc2)o1
InChIInChI=1S/C13H16N2O3/c1-3-12-14-15-13(18-12)8-17-11-6-4-10(5-7-11)9(2)16/h4-7,9,16H,3,8H2,1-2H3
InChIKeyBQLRITIFZJWUQL-UHFFFAOYSA-N
XLogP2.26
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495234
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503948
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 75483681
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63055724
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (CID 43503683) is 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol is CCc1nnc(COc2ccc(C(C)O)cc2)o1.
What is the InChIKey of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is BQLRITIFZJWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-12-14-15-13(18-12)8-17-11-6-4-10(5-7-11)9(2)16/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of 1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 248.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 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]ethanol is sourced from PubChem (CID 43503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).