2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide

C50H33F9N4O7 — CID 157417839

IUPAC2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.FC(F)(F)Oc1ccccc1-c1cccc(-c2cnco2)c1.NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C17H11F3N2O3.C17H12F3NO2.C16H10F3NO2/c18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-24-16(22-13)15(21)23;1-11-21-15(10-22-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)23-17(18,19)20;17-16(18,19)22-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-20-10-21-15/h1-9H,(H2,21,23);2-10H,1H3;1-10H
InChIKeyBPBFFJQNUHGHJI-UHFFFAOYSA-N
MW972.82 g/mol
LogP14.13
Rot. Bonds10

About 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide

2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 157417839) has the molecular formula C50H33F9N4O7 and a molecular weight of 972.82 g/mol. Its IUPAC name is 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID157417839
Molecular FormulaC50H33F9N4O7
Molecular Weight972.82 g/mol
Exact Mass972.22
IUPAC Name2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.FC(F)(F)Oc1ccccc1-c1cccc(-c2cnco2)c1.NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C17H11F3N2O3.C17H12F3NO2.C16H10F3NO2/c18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-24-16(22-13)15(21)23;1-11-21-15(10-22-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)23-17(18,19)20;17-16(18,19)22-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-20-10-21-15/h1-9H,(H2,21,23);2-10H,1H3;1-10H
InChIKeyBPBFFJQNUHGHJI-UHFFFAOYSA-N
XLogP14.13
TPSA148.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.82
LogP ≤ 514.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide with MolForge

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Related Compounds

2-(4-Fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 161826272
(4-Ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)
CID 139182419
CID 168320969
CID 168320969
2-(1,3-Oxazol-2-yl)-4,5-diphenyl-1,3-oxazole
CID 18965381
Ethyl 2-[2-ethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl-(1,3-oxazol-2-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoate
CID 58964657
Ethyl 2-[2-ethyl-6-methyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl-(1,3-oxazol-2-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoate
CID 58964683
2-[2,5-Bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole
CID 67650515
4-Methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole
CID 139481495
N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-formyl-5-(1,3-oxazol-2-yl)benzamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazole;toluene
CID 143783171
2-Dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole
CID 157271682
4,5-diphenyl-1,3-oxazole-2-carbaldehyde;1-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine;2-ethyl-6-propan-2-ylaniline;oxolane
CID 157779395
4,5-diphenyl-1,3-oxazole-2-carbaldehyde;1-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine;2,6-di(propan-2-yl)aniline
CID 158202175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide (CID 157417839) is 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide is Cc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.FC(F)(F)Oc1ccccc1-c1cccc(-c2cnco2)c1.NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.
What is the InChIKey of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is BPBFFJQNUHGHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3.C17H12F3NO2.C16H10F3NO2/c18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-24-16(22-13)15(21)23;1-11-21-15(10-22-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)23-17(18,19)20;17-16(18,19)22-14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-20-10-21-15/h1-9H,(H2,21,23);2-10H,1H3;1-10H.
What are the key properties of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 972.82 g/mol, XLogP of 14.13, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 157417839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).