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

C11H11FN2O2 — CID 82127841

IUPAC3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
SMILESOCCCc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C11H11FN2O2/c12-9-4-1-3-8(7-9)11-14-13-10(16-11)5-2-6-15/h1,3-4,7,15H,2,5-6H2
InChIKeyYTBVRXDKEQVETI-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.80
Rot. Bonds4

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

3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol (PubChem CID 82127841) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
PubChem CID82127841
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
SMILESOCCCc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C11H11FN2O2/c12-9-4-1-3-8(7-9)11-14-13-10(16-11)5-2-6-15/h1,3-4,7,15H,2,5-6H2
InChIKeyYTBVRXDKEQVETI-UHFFFAOYSA-N
XLogP1.80
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50848219
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
3-(5-pentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382298
2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 25009809
1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
2-(3-fluorophenyl)-5-(2-propan-2-yloxyethylsulfanylmethyl)-1,3,4-oxadiazole
CID 71926171
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol (CID 82127841) is 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol is OCCCc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol?
The InChIKey is YTBVRXDKEQVETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-4-1-3-8(7-9)11-14-13-10(16-11)5-2-6-15/h1,3-4,7,15H,2,5-6H2.
What are the key properties of 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol?
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol has a molecular weight of 222.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol is sourced from PubChem (CID 82127841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).