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

C23H22FN5O — CID 157269511

IUPAC5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccc(Cc3nc4n(n3)CCCN4c3ccc(F)cc3)cc2C)o1
InChIInChI=1S/C23H22FN5O/c1-15-12-17(4-9-20(15)21-14-25-16(2)30-21)13-22-26-23-28(10-3-11-29(23)27-22)19-7-5-18(24)6-8-19/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKeyAYJJFXLWTADOIH-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.82
Rot. Bonds4

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

5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole (PubChem CID 157269511) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole
PubChem CID157269511
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccc(Cc3nc4n(n3)CCCN4c3ccc(F)cc3)cc2C)o1
InChIInChI=1S/C23H22FN5O/c1-15-12-17(4-9-20(15)21-14-25-16(2)30-21)13-22-26-23-28(10-3-11-29(23)27-22)19-7-5-18(24)6-8-19/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKeyAYJJFXLWTADOIH-UHFFFAOYSA-N
XLogP4.82
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-[[4-(1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160815587
5-(4-Fluorophenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 4855220
2-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-phenyl-1,3-oxazole
CID 53565461
2-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 53570667
5-(4-fluorophenyl)-2-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-oxazole
CID 53593876
2-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-phenyl-1,3-oxazole
CID 53601786
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53613649
5-phenyl-2-[(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-oxazole
CID 53618207
2-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 71932650
5-(2-Fluoro-4-methylphenyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazole
CID 177649079
(5R)-5-(4-fluorophenyl)-3-[[3-[2-[2-(4-fluorophenyl)oxazol-5-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-4-(trifluoromethyl)phenyl]methyl]-2-imino-5-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 145998430
US20250250252, Example 2
CID 176851821

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole (CID 157269511) is 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole is Cc1ncc(-c2ccc(Cc3nc4n(n3)CCCN4c3ccc(F)cc3)cc2C)o1.
What is the InChIKey of 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole?
The InChIKey is AYJJFXLWTADOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-12-17(4-9-20(15)21-14-25-16(2)30-21)13-22-26-23-28(10-3-11-29(23)27-22)19-7-5-18(24)6-8-19/h4-9,12,14H,3,10-11,13H2,1-2H3.
What are the key properties of 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole?
5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole has a molecular weight of 403.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 157269511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).