1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C11H10ClFN2O2 — CID 103096104

IUPAC1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C11H10ClFN2O2/c1-2-8(16)10-14-11(17-15-10)6-4-3-5-7(12)9(6)13/h3-5,8,16H,2H2,1H3
InChIKeyKIVJHLWVKQEPFS-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.97
Rot. Bonds3

About 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096104) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096104
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C11H10ClFN2O2/c1-2-8(16)10-14-11(17-15-10)6-4-3-5-7(12)9(6)13/h3-5,8,16H,2H2,1H3
InChIKeyKIVJHLWVKQEPFS-UHFFFAOYSA-N
XLogP2.97
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198
1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81263143
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096087
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55100160
1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096111
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096353
1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096436
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825
1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096524
1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096254

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096104) is 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is KIVJHLWVKQEPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-2-8(16)10-14-11(17-15-10)6-4-3-5-7(12)9(6)13/h3-5,8,16H,2H2,1H3.
What are the key properties of 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 256.66 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).