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

C14H17FN2O2 — CID 63346122

IUPAC3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(Cc2ccc(F)cc2)no1)C(C)O
InChIInChI=1S/C14H17FN2O2/c1-3-12(9(2)18)14-16-13(17-19-14)8-10-4-6-11(15)7-5-10/h4-7,9,12,18H,3,8H2,1-2H3
InChIKeyUQFXSWHIYSFSFA-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.67
Rot. Bonds5

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

3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63346122) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63346122
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(Cc2ccc(F)cc2)no1)C(C)O
InChIInChI=1S/C14H17FN2O2/c1-3-12(9(2)18)14-16-13(17-19-14)8-10-4-6-11(15)7-5-10/h4-7,9,12,18H,3,8H2,1-2H3
InChIKeyUQFXSWHIYSFSFA-UHFFFAOYSA-N
XLogP2.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65222625
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347122
3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346217
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349235
(1R)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93259654
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345080
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 55202967
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350776
N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide
CID 95899844
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43470380
1-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61496533
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 63349816

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63346122) is 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(Cc2ccc(F)cc2)no1)C(C)O.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is UQFXSWHIYSFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-12(9(2)18)14-16-13(17-19-14)8-10-4-6-11(15)7-5-10/h4-7,9,12,18H,3,8H2,1-2H3.
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 264.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63346122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).