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

C12H12F2N2O2 — CID 103096111

IUPAC1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cc(C)c(F)cc2F)n1
InChIInChI=1S/C12H12F2N2O2/c1-3-10(17)11-15-12(18-16-11)7-4-6(2)8(13)5-9(7)14/h4-5,10,17H,3H2,1-2H3
InChIKeyHULMPPLIRKIOOW-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.77
Rot. Bonds3

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

1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096111) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096111
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cc(C)c(F)cc2F)n1
InChIInChI=1S/C12H12F2N2O2/c1-3-10(17)11-15-12(18-16-11)7-4-6(2)8(13)5-9(7)14/h4-5,10,17H,3H2,1-2H3
InChIKeyHULMPPLIRKIOOW-UHFFFAOYSA-N
XLogP2.77
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096111) is 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(-c2cc(C)c(F)cc2F)n1.
What is the InChIKey of 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is HULMPPLIRKIOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-3-10(17)11-15-12(18-16-11)7-4-6(2)8(13)5-9(7)14/h4-5,10,17H,3H2,1-2H3.
What are the key properties of 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 254.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).