5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole

C20H14F3N3O — CID 23725748

IUPAC5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H14F3N3O/c1-13-18(19(25-27-13)14-5-3-2-4-6-14)17-11-26(12-24-17)16-9-7-15(8-10-16)20(21,22)23/h2-12H,1H3
InChIKeyBXFKIGSDAKVMKV-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.52
Rot. Bonds3

About 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole

5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole (PubChem CID 23725748) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
PubChem CID23725748
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H14F3N3O/c1-13-18(19(25-27-13)14-5-3-2-4-6-14)17-11-26(12-24-17)16-9-7-15(8-10-16)20(21,22)23/h2-12H,1H3
InChIKeyBXFKIGSDAKVMKV-UHFFFAOYSA-N
XLogP5.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole (CID 23725748) is 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
The InChIKey is BXFKIGSDAKVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-13-18(19(25-27-13)14-5-3-2-4-6-14)17-11-26(12-24-17)16-9-7-15(8-10-16)20(21,22)23/h2-12H,1H3.
What are the key properties of 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole?
5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole has a molecular weight of 369.35 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 23725748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).