tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane

C28H33ClFN5O2Si — CID 150360619

IUPACtert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane
SMILESCc1c(-c2onc(-c3c(F)cccc3Cl)c2-c2ccncn2)cnn1C1CC(C)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C28H33ClFN5O2Si/c1-17-19(15-33-35(17)18-13-28(5,14-18)37-38(6,7)27(2,3)4)26-24(22-11-12-31-16-32-22)25(34-36-26)23-20(29)9-8-10-21(23)30/h8-12,15-16,18H,13-14H2,1-7H3
InChIKeyGVQCKCRDTSOMNH-UHFFFAOYSA-N
MW554.14 g/mol
LogP7.88
Rot. Bonds6

About tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane

tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane (PubChem CID 150360619) has the molecular formula C28H33ClFN5O2Si and a molecular weight of 554.14 g/mol. Its IUPAC name is tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane
PubChem CID150360619
Molecular FormulaC28H33ClFN5O2Si
Molecular Weight554.14 g/mol
Exact Mass553.21
IUPAC Nametert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane
SMILESCc1c(-c2onc(-c3c(F)cccc3Cl)c2-c2ccncn2)cnn1C1CC(C)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C28H33ClFN5O2Si/c1-17-19(15-33-35(17)18-13-28(5,14-18)37-38(6,7)27(2,3)4)26-24(22-11-12-31-16-32-22)25(34-36-26)23-20(29)9-8-10-21(23)30/h8-12,15-16,18H,13-14H2,1-7H3
InChIKeyGVQCKCRDTSOMNH-UHFFFAOYSA-N
XLogP7.88
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.14
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane 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

[(3R)-3-[[4-[3-(3-chlorophenyl)-5-(diethylaminomethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 162645142
Izumerogant
CID 154695807
4-[3-(3-chlorophenyl)-5-(diethylaminomethyl)-1,2-oxazol-4-yl]-N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 162652345
4-[3-(3-chlorophenyl)-5-(diethylaminomethyl)-1,2-oxazol-4-yl]-N-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 162656035
2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67196616
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide
CID 67197963
3-[1-(4-Chloro-5-fluoropyrimidin-2-yl)-3-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole
CID 73505329
Methyl 3-(2-chloro-6-fluorophenyl)-5-[5-(trifluoromethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-yl]-1,2-oxazole-4-carboxylate
CID 88850134
3-(2-Chloro-6-fluorophenyl)-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
CID 123867865
3-(2-Chloro-6-fluorophenyl)-5-[1-(2,6-dimethylpyrimidin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
CID 123871164
3-[1-(4-Chloro-5-prop-1-en-2-ylpyrimidin-2-yl)-3-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole
CID 124036230
4-[4-[3-(2-Chlorophenyl)-4-pyrimidin-2-yl-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 137549831

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane (CID 150360619) is tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane is Cc1c(-c2onc(-c3c(F)cccc3Cl)c2-c2ccncn2)cnn1C1CC(C)(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
The InChIKey is GVQCKCRDTSOMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClFN5O2Si/c1-17-19(15-33-35(17)18-13-28(5,14-18)37-38(6,7)27(2,3)4)26-24(22-11-12-31-16-32-22)25(34-36-26)23-20(29)9-8-10-21(23)30/h8-12,15-16,18H,13-14H2,1-7H3.
What are the key properties of tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane?
tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane has a molecular weight of 554.14 g/mol, XLogP of 7.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[4-[3-(2-chloro-6-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutyl]oxy-dimethylsilane is sourced from PubChem (CID 150360619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).