5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole

C21H18F2N6O — CID 147907328

IUPAC5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ncc(Cc3nc4n(n3)CCCN4c3ccc(F)cc3)cc2F)o1
InChIInChI=1S/C21H18F2N6O/c1-13-24-12-18(30-13)20-17(23)9-14(11-25-20)10-19-26-21-28(7-2-8-29(21)27-19)16-5-3-15(22)4-6-16/h3-6,9,11-12H,2,7-8,10H2,1H3
InChIKeyIFLCDZODKLSYPQ-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.05
Rot. Bonds4

About 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole

5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole (PubChem CID 147907328) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole
PubChem CID147907328
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ncc(Cc3nc4n(n3)CCCN4c3ccc(F)cc3)cc2F)o1
InChIInChI=1S/C21H18F2N6O/c1-13-24-12-18(30-13)20-17(23)9-14(11-25-20)10-19-26-21-28(7-2-8-29(21)27-19)16-5-3-15(22)4-6-16/h3-6,9,11-12H,2,7-8,10H2,1H3
InChIKeyIFLCDZODKLSYPQ-UHFFFAOYSA-N
XLogP4.05
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole with MolForge

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Related Compounds

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Triazolopyridine oxazole inhibitor 50
CID 23647335
Triazolopyridine oxazole inhibitor 58
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[(3S,4S)-3-methyl-1-[7-(1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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2,6-difluoro-N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole (CID 147907328) is 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole is Cc1ncc(-c2ncc(Cc3nc4n(n3)CCCN4c3ccc(F)cc3)cc2F)o1.
What is the InChIKey of 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole?
The InChIKey is IFLCDZODKLSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O/c1-13-24-12-18(30-13)20-17(23)9-14(11-25-20)10-19-26-21-28(7-2-8-29(21)27-19)16-5-3-15(22)4-6-16/h3-6,9,11-12H,2,7-8,10H2,1H3.
What are the key properties of 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole?
5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole has a molecular weight of 408.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 147907328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).