5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane

C43H34Br2F6N6O6 — CID 161445601

IUPAC5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane
SMILESC.COc1ccn(-c2ccc(Br)cc2-c2oc(C)nc2-c2ccc(OC(F)(F)F)cc2)n1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(Br)ccc2-n2ccc(CO)n2)o1
InChIInChI=1S/2C21H15BrF3N3O3.CH4/c1-12-26-19(13-3-6-15(7-4-13)31-21(23,24)25)20(30-12)16-11-14(22)5-8-17(16)28-10-9-18(27-28)29-2;1-12-26-19(13-2-5-16(6-3-13)31-21(23,24)25)20(30-12)17-10-14(22)4-7-18(17)28-9-8-15(11-29)27-28;/h3-11H,1-2H3;2-10,29H,11H2,1H3;1H4
InChIKeyVZVVDIGGVXIKFM-UHFFFAOYSA-N
MW1004.58 g/mol
LogP12.46
Rot. Bonds10

About 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane

5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane (PubChem CID 161445601) has the molecular formula C43H34Br2F6N6O6 and a molecular weight of 1004.58 g/mol. Its IUPAC name is 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane.

Molecular Properties

Compound Name5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane
PubChem CID161445601
Molecular FormulaC43H34Br2F6N6O6
Molecular Weight1004.58 g/mol
Exact Mass1002.08
IUPAC Name5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane
SMILESC.COc1ccn(-c2ccc(Br)cc2-c2oc(C)nc2-c2ccc(OC(F)(F)F)cc2)n1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(Br)ccc2-n2ccc(CO)n2)o1
InChIInChI=1S/2C21H15BrF3N3O3.CH4/c1-12-26-19(13-3-6-15(7-4-13)31-21(23,24)25)20(30-12)16-11-14(22)5-8-17(16)28-10-9-18(27-28)29-2;1-12-26-19(13-2-5-16(6-3-13)31-21(23,24)25)20(30-12)17-10-14(22)4-7-18(17)28-9-8-15(11-29)27-28;/h3-11H,1-2H3;2-10,29H,11H2,1H3;1H4
InChIKeyVZVVDIGGVXIKFM-UHFFFAOYSA-N
XLogP12.46
TPSA135.62 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001004.58
LogP ≤ 512.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane with MolForge

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Related Compounds

ethyl 1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxylate
CID 90462851
1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carbonitrile
CID 122599637
4-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 122599627
1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazole-3-carboxamide
CID 122599638
4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 90447120
methyl N-[1-[4-(3-methylsulfonylphenyl)-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]carbamate
CID 122586010
N-[3-cyclopropyl-1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-4-yl]formamide
CID 122599727
2-cyclopropyl-5-[5-(3-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 122599656
[1-[4-bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazol-4-yl]methanol
CID 90447274
2-[5-bromo-2-(3-ethylpyrazol-1-yl)phenyl]-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 122599615
2-methyl-5-[5-(3-methylsulfinylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 90447031
[4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol
CID 122599692

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane?
The IUPAC name of 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane (CID 161445601) is 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane.
What is the SMILES notation for 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane?
The canonical SMILES for 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane is C.COc1ccn(-c2ccc(Br)cc2-c2oc(C)nc2-c2ccc(OC(F)(F)F)cc2)n1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(Br)ccc2-n2ccc(CO)n2)o1.
What is the InChIKey of 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane?
The InChIKey is VZVVDIGGVXIKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15BrF3N3O3.CH4/c1-12-26-19(13-3-6-15(7-4-13)31-21(23,24)25)20(30-12)16-11-14(22)5-8-17(16)28-10-9-18(27-28)29-2;1-12-26-19(13-2-5-16(6-3-13)31-21(23,24)25)20(30-12)17-10-14(22)4-7-18(17)28-9-8-15(11-29)27-28;/h3-11H,1-2H3;2-10,29H,11H2,1H3;1H4.
What are the key properties of 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane?
5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane has a molecular weight of 1004.58 g/mol, XLogP of 12.46, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-(3-methoxypyrazol-1-yl)phenyl]-2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;[1-[4-bromo-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]methanol;methane is sourced from PubChem (CID 161445601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).