4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one

C16H9F3N6O2 — CID 177328694

IUPAC4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
SMILESO=c1nc(-n2cncn2)ccn1-c1ncoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9F3N6O2/c17-16(18,19)11-3-1-10(2-4-11)13-14(21-9-27-13)24-6-5-12(23-15(24)26)25-8-20-7-22-25/h1-9H
InChIKeyMYTOOBONQWREMB-UHFFFAOYSA-N
MW374.28 g/mol
LogP2.49
Rot. Bonds3

About 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one

4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one (PubChem CID 177328694) has the molecular formula C16H9F3N6O2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
PubChem CID177328694
Molecular FormulaC16H9F3N6O2
Molecular Weight374.28 g/mol
Exact Mass374.07
IUPAC Name4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
SMILESO=c1nc(-n2cncn2)ccn1-c1ncoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9F3N6O2/c17-16(18,19)11-3-1-10(2-4-11)13-14(21-9-27-13)24-6-5-12(23-15(24)26)25-8-20-7-22-25/h1-9H
InChIKeyMYTOOBONQWREMB-UHFFFAOYSA-N
XLogP2.49
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-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

1-[2-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
CID 171099108
7-cyclopropyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-one
CID 171099038
methyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 54540338
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90600327
(E)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 30806009
4-cyclopropyl-1-[2-(1-methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328715
5-[4-(trifluoromethyl)phenyl]-1,2,4-dithiazol-3-one
CID 124928452
4-[(1S,2R)-2-fluorocyclopropyl]-1-[2-(1-methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328682
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47046813
2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135121646
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
[(1R,2R,4R)-2-acetyloxy-3,3-difluoro-4-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]cyclopentyl]methyl acetate
CID 91550967

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
The IUPAC name of 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one (CID 177328694) is 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one is O=c1nc(-n2cncn2)ccn1-c1ncoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
The InChIKey is MYTOOBONQWREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N6O2/c17-16(18,19)11-3-1-10(2-4-11)13-14(21-9-27-13)24-6-5-12(23-15(24)26)25-8-20-7-22-25/h1-9H.
What are the key properties of 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one has a molecular weight of 374.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one is sourced from PubChem (CID 177328694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).