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

C15H9FN2O2 — CID 154721844

IUPAC[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H9FN2O2/c16-12-8-6-11(7-9-12)15-17-14(18-20-15)13(19)10-4-2-1-3-5-10/h1-9H
InChIKeyFIEOEINEMLKQGU-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.11
Rot. Bonds3

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

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone (PubChem CID 154721844) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
PubChem CID154721844
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H9FN2O2/c16-12-8-6-11(7-9-12)15-17-14(18-20-15)13(19)10-4-2-1-3-5-10/h1-9H
InChIKeyFIEOEINEMLKQGU-UHFFFAOYSA-N
XLogP3.11
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanoic acid
CID 167428087
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
5-phenyl-1,2,4-oxadiazole-3-carbothioamide
CID 130016702
5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 53418234
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone (CID 154721844) is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone?
The InChIKey is FIEOEINEMLKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-12-8-6-11(7-9-12)15-17-14(18-20-15)13(19)10-4-2-1-3-5-10/h1-9H.
What are the key properties of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone?
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone has a molecular weight of 268.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone is sourced from PubChem (CID 154721844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).