3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol

C21H15FN2O3 — CID 139011452

IUPAC3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(C(Oc3ccccc3)c3ccccc3)n2)c(F)c1
InChIInChI=1S/C21H15FN2O3/c22-18-13-15(25)11-12-17(18)20-23-21(27-24-20)19(14-7-3-1-4-8-14)26-16-9-5-2-6-10-16/h1-13,19,25H
InChIKeyRITFSCPTCPOYBP-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.75
Rot. Bonds5

About 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol

3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 139011452) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID139011452
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(C(Oc3ccccc3)c3ccccc3)n2)c(F)c1
InChIInChI=1S/C21H15FN2O3/c22-18-13-15(25)11-12-17(18)20-23-21(27-24-20)19(14-7-3-1-4-8-14)26-16-9-5-2-6-10-16/h1-13,19,25H
InChIKeyRITFSCPTCPOYBP-UHFFFAOYSA-N
XLogP4.75
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851660
3-[5-[(3-chlorophenoxy)-(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 57345078
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
1-[5-[(3-chloro-4-fluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868278
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 28999716
(S)-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898630
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
3-fluoro-4-pyridin-3-ylphenol
CID 46315770

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol (CID 139011452) is 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(C(Oc3ccccc3)c3ccccc3)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is RITFSCPTCPOYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-18-13-15(25)11-12-17(18)20-23-21(27-24-20)19(14-7-3-1-4-8-14)26-16-9-5-2-6-10-16/h1-13,19,25H.
What are the key properties of 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 362.36 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 139011452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).