[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol

C21H15FN2O2 — CID 59509485

IUPAC[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2nc(-c3ccc(-c4ccccc4)c(F)c3)no2)cc1
InChIInChI=1S/C21H15FN2O2/c22-19-12-17(10-11-18(19)15-4-2-1-3-5-15)20-23-21(26-24-20)16-8-6-14(13-25)7-9-16/h1-12,25H,13H2
InChIKeyCOUASALSAWDIQD-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.70
Rot. Bonds4

About [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol

[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol (PubChem CID 59509485) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol
PubChem CID59509485
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2nc(-c3ccc(-c4ccccc4)c(F)c3)no2)cc1
InChIInChI=1S/C21H15FN2O2/c22-19-12-17(10-11-18(19)15-4-2-1-3-5-15)20-23-21(26-24-20)16-8-6-14(13-25)7-9-16/h1-12,25H,13H2
InChIKeyCOUASALSAWDIQD-UHFFFAOYSA-N
XLogP4.70
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59509428
2-chloro-N-(2-chloroethyl)-N-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethanamine
CID 59509478
2-fluoro-4-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255870
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
2-ethyl-1-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3,3-dicarboxylic acid
CID 90450196
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
4-[5-[2-chloro-3-(methoxymethyl)-4-phenylphenyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
CID 140553958
4-(2-amino-2-oxoethoxy)carbonyl-1-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 25127373
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
1-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-(3-methyl-2-oxobut-3-enoxy)carbonylpiperidine-4-carboxylic acid
CID 89026471

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The IUPAC name of [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol (CID 59509485) is [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol is OCc1ccc(-c2nc(-c3ccc(-c4ccccc4)c(F)c3)no2)cc1.
What is the InChIKey of [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The InChIKey is COUASALSAWDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-19-12-17(10-11-18(19)15-4-2-1-3-5-15)20-23-21(26-24-20)16-8-6-14(13-25)7-9-16/h1-12,25H,13H2.
What are the key properties of [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol?
[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol has a molecular weight of 346.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol is sourced from PubChem (CID 59509485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).