2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole

C16H15N3O2 — CID 75483681

IUPAC2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(-c3ccccc3)nc2)o1
InChIInChI=1S/C16H15N3O2/c1-2-15-18-19-16(21-15)11-20-13-8-9-14(17-10-13)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyVRDJMTGYLCIOTF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.27
Rot. Bonds5

About 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole

2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 75483681) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
PubChem CID75483681
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(-c3ccccc3)nc2)o1
InChIInChI=1S/C16H15N3O2/c1-2-15-18-19-16(21-15)11-20-13-8-9-14(17-10-13)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyVRDJMTGYLCIOTF-UHFFFAOYSA-N
XLogP3.27
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
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-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 64764031

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole (CID 75483681) is 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole is CCc1nnc(COc2ccc(-c3ccccc3)nc2)o1.
What is the InChIKey of 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is VRDJMTGYLCIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-15-18-19-16(21-15)11-20-13-8-9-14(17-10-13)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 281.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75483681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).