1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol

C16H21FN2O2 — CID 146469129

IUPAC1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCCCCCc1ccc(F)c(C(O)Cc2nnc(C)o2)c1
InChIInChI=1S/C16H21FN2O2/c1-3-4-5-6-12-7-8-14(17)13(9-12)15(20)10-16-19-18-11(2)21-16/h7-9,15,20H,3-6,10H2,1-2H3
InChIKeySGPJMAHDAZQWNJ-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.53
Rot. Bonds7

About 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol

1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469129) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469129
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCCCCCc1ccc(F)c(C(O)Cc2nnc(C)o2)c1
InChIInChI=1S/C16H21FN2O2/c1-3-4-5-6-12-7-8-14(17)13(9-12)15(20)10-16-19-18-11(2)21-16/h7-9,15,20H,3-6,10H2,1-2H3
InChIKeySGPJMAHDAZQWNJ-UHFFFAOYSA-N
XLogP3.53
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (CID 146469129) is 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is CCCCCc1ccc(F)c(C(O)Cc2nnc(C)o2)c1.
What is the InChIKey of 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is SGPJMAHDAZQWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-4-5-6-12-7-8-14(17)13(9-12)15(20)10-16-19-18-11(2)21-16/h7-9,15,20H,3-6,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 292.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).