4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole

C12H8F2N4O — CID 162281204

IUPAC4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCc1nc(-c2nc(-c3ccc(F)cc3F)co2)n[nH]1
InChIInChI=1S/C12H8F2N4O/c1-6-15-11(18-17-6)12-16-10(5-19-12)8-3-2-7(13)4-9(8)14/h2-5H,1H3,(H,15,17,18)
InChIKeyHMOSPMHBOOJLGR-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.71
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole

4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole (PubChem CID 162281204) has the molecular formula C12H8F2N4O and a molecular weight of 262.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole
PubChem CID162281204
Molecular FormulaC12H8F2N4O
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC Name4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCc1nc(-c2nc(-c3ccc(F)cc3F)co2)n[nH]1
InChIInChI=1S/C12H8F2N4O/c1-6-15-11(18-17-6)12-16-10(5-19-12)8-3-2-7(13)4-9(8)14/h2-5H,1H3,(H,15,17,18)
InChIKeyHMOSPMHBOOJLGR-UHFFFAOYSA-N
XLogP2.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 134209886
2-[6-(2,4-difluorophenyl)-2-pyridinyl]-3,5-difluoropyridine
CID 58640778
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
4-tert-butyl-6-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-2-(2,4-difluorophenyl)pyrimidine
CID 153425434
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea
CID 23555728
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
3-(2,4-difluorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 113300104
bis(2-(2,4-difluorophenyl)pyridine);indium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 159112351
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803023
3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one
CID 139921195

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole (CID 162281204) is 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole is Cc1nc(-c2nc(-c3ccc(F)cc3F)co2)n[nH]1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole?
The InChIKey is HMOSPMHBOOJLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O/c1-6-15-11(18-17-6)12-16-10(5-19-12)8-3-2-7(13)4-9(8)14/h2-5H,1H3,(H,15,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole?
4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole has a molecular weight of 262.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 162281204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).