5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide

C23H18F2N6O2 — CID 144872142

IUPAC5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide
SMILESCc1nc(C)c(-c2ccc(F)c(-c3nc4ncc(-c5ccccc5)cn4n3)c2F)o1.NC=O
InChIInChI=1S/C22H15F2N5O.CH3NO/c1-12-20(30-13(2)26-12)16-8-9-17(23)18(19(16)24)21-27-22-25-10-15(11-29(22)28-21)14-6-4-3-5-7-14;2-1-3/h3-11H,1-2H3;1H,(H2,2,3)
InChIKeyWOEIOXIOXKANDM-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.11
Rot. Bonds3

About 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide

5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide (PubChem CID 144872142) has the molecular formula C23H18F2N6O2 and a molecular weight of 448.43 g/mol. Its IUPAC name is 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide.

Molecular Properties

Compound Name5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide
PubChem CID144872142
Molecular FormulaC23H18F2N6O2
Molecular Weight448.43 g/mol
Exact Mass448.15
IUPAC Name5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide
SMILESCc1nc(C)c(-c2ccc(F)c(-c3nc4ncc(-c5ccccc5)cn4n3)c2F)o1.NC=O
InChIInChI=1S/C22H15F2N5O.CH3NO/c1-12-20(30-13(2)26-12)16-8-9-17(23)18(19(16)24)21-27-22-25-10-15(11-29(22)28-21)14-6-4-3-5-7-14;2-1-3/h3-11H,1-2H3;1H,(H2,2,3)
InChIKeyWOEIOXIOXKANDM-UHFFFAOYSA-N
XLogP4.11
TPSA112.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118162622
2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
CID 118162691
1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide
CID 144718028
3-fluoro-N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-methylazetidine-1-carboxamide
CID 121257190
N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;2-methylpropane
CID 144872128
6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 141272180
2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118176464
N-[4-fluoro-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162651
(3R)-3-fluoro-N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 118162646
N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 123529128
4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718172
5-methyl-1-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1,2,4-triazole
CID 24764267

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide?
The IUPAC name of 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide (CID 144872142) is 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide.
What is the SMILES notation for 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide?
The canonical SMILES for 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide is Cc1nc(C)c(-c2ccc(F)c(-c3nc4ncc(-c5ccccc5)cn4n3)c2F)o1.NC=O.
What is the InChIKey of 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide?
The InChIKey is WOEIOXIOXKANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O.CH3NO/c1-12-20(30-13(2)26-12)16-8-9-17(23)18(19(16)24)21-27-22-25-10-15(11-29(22)28-21)14-6-4-3-5-7-14;2-1-3/h3-11H,1-2H3;1H,(H2,2,3).
What are the key properties of 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide?
5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide has a molecular weight of 448.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide is sourced from PubChem (CID 144872142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).