3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole

C41H27Br2ClF2N10O3 — CID 157336558

IUPAC3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(Br)c(Cl)n2)cc1-c1ccon1.Fc1ccccc1Cn1nc(-c2ncc(Br)c(OCc3ccccc3)n2)cc1-c1ccon1
InChIInChI=1S/C24H17BrFN5O2.C17H10BrClFN5O/c25-18-13-27-23(28-24(18)32-15-16-6-2-1-3-7-16)21-12-22(20-10-11-33-30-20)31(29-21)14-17-8-4-5-9-19(17)26;18-11-8-21-17(22-16(11)19)14-7-15(13-5-6-26-24-13)25(23-14)9-10-3-1-2-4-12(10)20/h1-13H,14-15H2;1-8H,9H2
InChIKeyBFXDRHFFCWWZFJ-UHFFFAOYSA-N
MW940.99 g/mol
LogP10.12
Rot. Bonds11

About 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole

3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole (PubChem CID 157336558) has the molecular formula C41H27Br2ClF2N10O3 and a molecular weight of 940.99 g/mol. Its IUPAC name is 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
PubChem CID157336558
Molecular FormulaC41H27Br2ClF2N10O3
Molecular Weight940.99 g/mol
Exact Mass938.03
IUPAC Name3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(Br)c(Cl)n2)cc1-c1ccon1.Fc1ccccc1Cn1nc(-c2ncc(Br)c(OCc3ccccc3)n2)cc1-c1ccon1
InChIInChI=1S/C24H17BrFN5O2.C17H10BrClFN5O/c25-18-13-27-23(28-24(18)32-15-16-6-2-1-3-7-16)21-12-22(20-10-11-33-30-20)31(29-21)14-17-8-4-5-9-19(17)26;18-11-8-21-17(22-16(11)19)14-7-15(13-5-6-26-24-13)25(23-14)9-10-3-1-2-4-12(10)20/h1-13H,14-15H2;1-8H,9H2
InChIKeyBFXDRHFFCWWZFJ-UHFFFAOYSA-N
XLogP10.12
TPSA148.49 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.99
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole (CID 157336558) is 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc(Br)c(Cl)n2)cc1-c1ccon1.Fc1ccccc1Cn1nc(-c2ncc(Br)c(OCc3ccccc3)n2)cc1-c1ccon1.
What is the InChIKey of 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The InChIKey is BFXDRHFFCWWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN5O2.C17H10BrClFN5O/c25-18-13-27-23(28-24(18)32-15-16-6-2-1-3-7-16)21-12-22(20-10-11-33-30-20)31(29-21)14-17-8-4-5-9-19(17)26;18-11-8-21-17(22-16(11)19)14-7-15(13-5-6-26-24-13)25(23-14)9-10-3-1-2-4-12(10)20/h1-13H,14-15H2;1-8H,9H2.
What are the key properties of 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole has a molecular weight of 940.99 g/mol, XLogP of 10.12, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-bromo-4-chloropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;3-[3-(5-bromo-4-phenylmethoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 157336558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).