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

C22H16ClF3N2O2 — CID 174190860

IUPAC2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane
SMILESCC.Oc1cccnc1-c1c(-c2ccc(Cl)cc2F)noc1-c1ccc(F)cc1F
InChIInChI=1S/C20H10ClF3N2O2.C2H6/c21-10-3-5-12(14(23)8-10)18-17(19-16(27)2-1-7-25-19)20(28-26-18)13-6-4-11(22)9-15(13)24;1-2/h1-9,27H;1-2H3
InChIKeySRYPCZSOUTYYGO-UHFFFAOYSA-N
MW432.83 g/mol
LogP6.87
Rot. Bonds3

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

2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane (PubChem CID 174190860) has the molecular formula C22H16ClF3N2O2 and a molecular weight of 432.83 g/mol. Its IUPAC name is 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane.

Molecular Properties

Compound Name2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane
PubChem CID174190860
Molecular FormulaC22H16ClF3N2O2
Molecular Weight432.83 g/mol
Exact Mass432.09
IUPAC Name2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane
SMILESCC.Oc1cccnc1-c1c(-c2ccc(Cl)cc2F)noc1-c1ccc(F)cc1F
InChIInChI=1S/C20H10ClF3N2O2.C2H6/c21-10-3-5-12(14(23)8-10)18-17(19-16(27)2-1-7-25-19)20(28-26-18)13-6-4-11(22)9-15(13)24;1-2/h1-9,27H;1-2H3
InChIKeySRYPCZSOUTYYGO-UHFFFAOYSA-N
XLogP6.87
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-chloro-2-fluorophenyl)pyridin-3-ol
CID 83130990
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
CID 165444068
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
5-fluoro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136905979
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
CID 58439278
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane?
The IUPAC name of 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane (CID 174190860) is 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane.
What is the SMILES notation for 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane?
The canonical SMILES for 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane is CC.Oc1cccnc1-c1c(-c2ccc(Cl)cc2F)noc1-c1ccc(F)cc1F.
What is the InChIKey of 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane?
The InChIKey is SRYPCZSOUTYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF3N2O2.C2H6/c21-10-3-5-12(14(23)8-10)18-17(19-16(27)2-1-7-25-19)20(28-26-18)13-6-4-11(22)9-15(13)24;1-2/h1-9,27H;1-2H3.
What are the key properties of 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane?
2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane has a molecular weight of 432.83 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2-fluorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]pyridin-3-ol;ethane is sourced from PubChem (CID 174190860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).