2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole

C18H10F2N2O — CID 71578944

IUPAC2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole
SMILESFc1ccc(F)c(-c2nc3ccccc3o2)c1-c1ccccn1
InChIInChI=1S/C18H10F2N2O/c19-11-8-9-12(20)17(16(11)14-6-3-4-10-21-14)18-22-13-5-1-2-7-15(13)23-18/h1-10H
InChIKeySORFGOKPJDVBQD-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.84
Rot. Bonds2

About 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole

2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole (PubChem CID 71578944) has the molecular formula C18H10F2N2O and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole
PubChem CID71578944
Molecular FormulaC18H10F2N2O
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole
SMILESFc1ccc(F)c(-c2nc3ccccc3o2)c1-c1ccccn1
InChIInChI=1S/C18H10F2N2O/c19-11-8-9-12(20)17(16(11)14-6-3-4-10-21-14)18-22-13-5-1-2-7-15(13)23-18/h1-10H
InChIKeySORFGOKPJDVBQD-UHFFFAOYSA-N
XLogP4.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzoxazole, 2-phenyl-
CID 70030
2-(3-Pyridyl)benzoxazole
CID 16803
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
2-(2'-Methylphenyl)benzoxazole
CID 154899
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole (CID 71578944) is 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole is Fc1ccc(F)c(-c2nc3ccccc3o2)c1-c1ccccn1.
What is the InChIKey of 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole?
The InChIKey is SORFGOKPJDVBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2O/c19-11-8-9-12(20)17(16(11)14-6-3-4-10-21-14)18-22-13-5-1-2-7-15(13)23-18/h1-10H.
What are the key properties of 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole?
2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole has a molecular weight of 308.29 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-difluoro-2-pyridin-2-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 71578944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).