1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one

C21H16F3N5O3 — CID 154695798

IUPAC1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one
SMILESCOc1ccccc1-c1noc(-c2cnn(CC(C)=O)c2C(F)(F)F)c1-c1ncccn1
InChIInChI=1S/C21H16F3N5O3/c1-12(30)11-29-19(21(22,23)24)14(10-27-29)18-16(20-25-8-5-9-26-20)17(28-32-18)13-6-3-4-7-15(13)31-2/h3-10H,11H2,1-2H3
InChIKeyTYIODNNXPXIXQW-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one

1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one (PubChem CID 154695798) has the molecular formula C21H16F3N5O3 and a molecular weight of 443.39 g/mol. Its IUPAC name is 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one
PubChem CID154695798
Molecular FormulaC21H16F3N5O3
Molecular Weight443.39 g/mol
Exact Mass443.12
IUPAC Name1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one
SMILESCOc1ccccc1-c1noc(-c2cnn(CC(C)=O)c2C(F)(F)F)c1-c1ncccn1
InChIInChI=1S/C21H16F3N5O3/c1-12(30)11-29-19(21(22,23)24)14(10-27-29)18-16(20-25-8-5-9-26-20)17(28-32-18)13-6-3-4-7-15(13)31-2/h3-10H,11H2,1-2H3
InChIKeyTYIODNNXPXIXQW-UHFFFAOYSA-N
XLogP4.28
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-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

4-[4-[3-(6-chlorocyclohexa-1,3-dien-1-yl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 142541246
2-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 166464412
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
[5-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867266
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
CID 132514539
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139
3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 46904972
N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67197593
5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 29153480
3-(2-methoxyphenyl)-N-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridin-2-amine
CID 137499071

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The IUPAC name of 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one (CID 154695798) is 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one is COc1ccccc1-c1noc(-c2cnn(CC(C)=O)c2C(F)(F)F)c1-c1ncccn1.
What is the InChIKey of 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The InChIKey is TYIODNNXPXIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3/c1-12(30)11-29-19(21(22,23)24)14(10-27-29)18-16(20-25-8-5-9-26-20)17(28-32-18)13-6-3-4-7-15(13)31-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one has a molecular weight of 443.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methoxyphenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one is sourced from PubChem (CID 154695798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).