5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H14FN5O2 — CID 134439446

IUPAC5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2coc(-c3ccc(F)cc3)n2)nc2nc[nH]n2c1=O
InChIInChI=1S/C17H14FN5O2/c1-9(2)13-14(22-17-19-8-20-23(17)16(13)24)12-7-25-15(21-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20,22)
InChIKeyWKRHOXHDUHLPKM-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.00
Rot. Bonds3

About 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439446) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439446
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2coc(-c3ccc(F)cc3)n2)nc2nc[nH]n2c1=O
InChIInChI=1S/C17H14FN5O2/c1-9(2)13-14(22-17-19-8-20-23(17)16(13)24)12-7-25-15(21-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20,22)
InChIKeyWKRHOXHDUHLPKM-UHFFFAOYSA-N
XLogP3.00
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-5-(1H-pyrazol-4-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439346
5-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439500
2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142324796
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439348
2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole
CID 90223933
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
CID 58119372
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid
CID 67322415
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]cyclohex-4-en-2-yne-1-carboxylate
CID 143939008
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439446) is 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2coc(-c3ccc(F)cc3)n2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WKRHOXHDUHLPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-9(2)13-14(22-17-19-8-20-23(17)16(13)24)12-7-25-15(21-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 339.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).