1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol

C16H14FN3O3 — CID 86801623

IUPAC1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOc1cc(-c2noc(CC(O)c3cccc(F)c3)n2)ccn1
InChIInChI=1S/C16H14FN3O3/c1-22-14-8-11(5-6-18-14)16-19-15(23-20-16)9-13(21)10-3-2-4-12(17)7-10/h2-8,13,21H,9H2,1H3
InChIKeyCWCXIHGSPQBOOY-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.56
Rot. Bonds5

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

1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 86801623) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID86801623
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOc1cc(-c2noc(CC(O)c3cccc(F)c3)n2)ccn1
InChIInChI=1S/C16H14FN3O3/c1-22-14-8-11(5-6-18-14)16-19-15(23-20-16)9-13(21)10-3-2-4-12(17)7-10/h2-8,13,21H,9H2,1H3
InChIKeyCWCXIHGSPQBOOY-UHFFFAOYSA-N
XLogP2.56
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol
CID 99778217
3-(3-fluorophenyl)-5-[(2S)-3,3,3-trifluoro-2-phenylpropyl]-1,2,4-oxadiazole
CID 99037879
4-fluoro-5-[[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 178155172
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63349041
3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 95907164
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 63345956
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63348511
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99789838
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63344995

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 86801623) is 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol is COc1cc(-c2noc(CC(O)c3cccc(F)c3)n2)ccn1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is CWCXIHGSPQBOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-22-14-8-11(5-6-18-14)16-19-15(23-20-16)9-13(21)10-3-2-4-12(17)7-10/h2-8,13,21H,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 315.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 86801623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).