2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole

C20H20FNO — CID 54451182

IUPAC2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2oc(C(C)(C)C)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNO/c1-13-5-7-15(8-6-13)18-17(14-9-11-16(21)12-10-14)22-19(23-18)20(2,3)4/h5-12H,1-4H3
InChIKeyWVBTYQQXINYOQC-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.75
Rot. Bonds2

About 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole

2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole (PubChem CID 54451182) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole
PubChem CID54451182
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2oc(C(C)(C)C)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNO/c1-13-5-7-15(8-6-13)18-17(14-9-11-16(21)12-10-14)22-19(23-18)20(2,3)4/h5-12H,1-4H3
InChIKeyWVBTYQQXINYOQC-UHFFFAOYSA-N
XLogP5.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-tert-butyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine;methanesulfonic acid
CID 87184473
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 142959263
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
CID 105457027
5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834344
2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
CID 79072654
4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 139808290
4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine
CID 121384506

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole (CID 54451182) is 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2oc(C(C)(C)C)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is WVBTYQQXINYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-13-5-7-15(8-6-13)18-17(14-9-11-16(21)12-10-14)22-19(23-18)20(2,3)4/h5-12H,1-4H3.
What are the key properties of 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole?
2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole has a molecular weight of 309.38 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 54451182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).