3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate

C72H86Br2N12O12 — CID 159097972

IUPAC3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
SMILESCOCn1nc(C)cc1C1(C)CC(c2ccc(Br)c(C)c2)=NO1.COCn1nc(C)cc1C1(C)CC(c2ccc(C(=O)OC)c(C)c2)=NO1.COCn1nc(C2(C)CC(c3ccc(Br)c(C)c3)=NO2)cc1C.COCn1nc(C2(C)CC(c3ccc(C(=O)OC)c(C)c3)=NO2)cc1C
InChIInChI=1S/2C19H23N3O4.2C17H20BrN3O2/c1-12-8-14(6-7-15(12)18(23)25-5)16-10-19(3,26-21-16)17-9-13(2)22(20-17)11-24-4;1-12-8-14(6-7-15(12)18(23)25-5)16-10-19(3,26-21-16)17-9-13(2)20-22(17)11-24-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)21(19-16)10-22-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)19-21(16)10-22-4/h2*6-9H,10-11H2,1-5H3;2*5-8H,9-10H2,1-4H3
InChIKeyKCXHYOIHDWZATG-UHFFFAOYSA-N
MW1471.36 g/mol
LogP13.67
Rot. Bonds18

About 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate

3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate (PubChem CID 159097972) has the molecular formula C72H86Br2N12O12 and a molecular weight of 1471.36 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
PubChem CID159097972
Molecular FormulaC72H86Br2N12O12
Molecular Weight1471.36 g/mol
Exact Mass1468.49
IUPAC Name3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
SMILESCOCn1nc(C)cc1C1(C)CC(c2ccc(Br)c(C)c2)=NO1.COCn1nc(C)cc1C1(C)CC(c2ccc(C(=O)OC)c(C)c2)=NO1.COCn1nc(C2(C)CC(c3ccc(Br)c(C)c3)=NO2)cc1C.COCn1nc(C2(C)CC(c3ccc(C(=O)OC)c(C)c3)=NO2)cc1C
InChIInChI=1S/2C19H23N3O4.2C17H20BrN3O2/c1-12-8-14(6-7-15(12)18(23)25-5)16-10-19(3,26-21-16)17-9-13(2)22(20-17)11-24-4;1-12-8-14(6-7-15(12)18(23)25-5)16-10-19(3,26-21-16)17-9-13(2)20-22(17)11-24-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)21(19-16)10-22-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)19-21(16)10-22-4/h2*6-9H,10-11H2,1-5H3;2*5-8H,9-10H2,1-4H3
InChIKeyKCXHYOIHDWZATG-UHFFFAOYSA-N
XLogP13.67
TPSA247.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.36
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate (CID 159097972) is 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate is COCn1nc(C)cc1C1(C)CC(c2ccc(Br)c(C)c2)=NO1.COCn1nc(C)cc1C1(C)CC(c2ccc(C(=O)OC)c(C)c2)=NO1.COCn1nc(C2(C)CC(c3ccc(Br)c(C)c3)=NO2)cc1C.COCn1nc(C2(C)CC(c3ccc(C(=O)OC)c(C)c3)=NO2)cc1C.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate?
The InChIKey is KCXHYOIHDWZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H23N3O4.2C17H20BrN3O2/c1-12-8-14(6-7-15(12)18(23)25-5)16-10-19(3,26-21-16)17-9-13(2)22(20-17)11-24-4;1-12-8-14(6-7-15(12)18(23)25-5)16-10-19(3,26-21-16)17-9-13(2)20-22(17)11-24-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)21(19-16)10-22-4;1-11-7-13(5-6-14(11)18)15-9-17(3,23-20-15)16-8-12(2)19-21(16)10-22-4/h2*6-9H,10-11H2,1-5H3;2*5-8H,9-10H2,1-4H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate?
3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate has a molecular weight of 1471.36 g/mol, XLogP of 13.67, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;3-(4-bromo-3-methylphenyl)-5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazole;methyl 4-[5-[1-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate;methyl 4-[5-[2-(methoxymethyl)-5-methylpyrazol-3-yl]-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate is sourced from PubChem (CID 159097972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).