[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C21H12ClF3N2O2 — CID 58463288

IUPAC[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)noc1-c1ccc(F)cc1Cl
InChIInChI=1S/C21H12ClF3N2O2/c22-16-8-12(23)3-5-14(16)21-18(20(28)11-2-1-7-26-10-11)19(27-29-21)15-6-4-13(24)9-17(15)25/h1-10,20,28H
InChIKeyBUBJDEVOMATXCE-UHFFFAOYSA-N
MW416.79 g/mol
LogP5.56
Rot. Bonds4

About [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 58463288) has the molecular formula C21H12ClF3N2O2 and a molecular weight of 416.79 g/mol. Its IUPAC name is [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID58463288
Molecular FormulaC21H12ClF3N2O2
Molecular Weight416.79 g/mol
Exact Mass416.05
IUPAC Name[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)noc1-c1ccc(F)cc1Cl
InChIInChI=1S/C21H12ClF3N2O2/c22-16-8-12(23)3-5-14(16)21-18(20(28)11-2-1-7-26-10-11)19(27-29-21)15-6-4-13(24)9-17(15)25/h1-10,20,28H
InChIKeyBUBJDEVOMATXCE-UHFFFAOYSA-N
XLogP5.56
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.79
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol with MolForge

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Related Compounds

[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 142794262
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
4-[5-(2-chlorophenyl)-4-[hydroxy(pyridin-3-yl)methyl]-1,2-oxazol-3-yl]benzonitrile
CID 59674947
[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 143201407
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031
[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463346
[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 67438518
[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 175895278
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[4-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-5-propan-2-yl-1H-pyrrol-3-yl]-pyridin-3-ylmethanol
CID 174989842

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 58463288) is [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(F)cc2F)noc1-c1ccc(F)cc1Cl.
What is the InChIKey of [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is BUBJDEVOMATXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N2O2/c22-16-8-12(23)3-5-14(16)21-18(20(28)11-2-1-7-26-10-11)19(27-29-21)15-6-4-13(24)9-17(15)25/h1-10,20,28H.
What are the key properties of [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 416.79 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).