2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole

C14H16FNO — CID 58101066

IUPAC2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole
SMILESCC(C)(C)c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO/c1-14(2,3)13-16-9-12(17-13)8-10-4-6-11(15)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyWCWWZUHQTKFBBX-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.70
Rot. Bonds2

About 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole

2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole (PubChem CID 58101066) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole
PubChem CID58101066
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole
SMILESCC(C)(C)c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO/c1-14(2,3)13-16-9-12(17-13)8-10-4-6-11(15)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyWCWWZUHQTKFBBX-UHFFFAOYSA-N
XLogP3.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-Phenylheptanoyl)oxazole-5-carbonitrile
CID 11991895
7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
2-Cyclohexyl-5-phenyloxazole
CID 87832
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
3-(4-Phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
CID 24800332
1-(5-Phenyloxazol-2-yl)octadec-9-en-1-one
CID 11154099
1-(5-Acetyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991811
7-Phenyl-1-(5-(2,2,2-trifluoroacetyl)oxazol-2-yl)heptan-1-one
CID 11991812
1-(5-Methyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991888
1-(5-Iodo-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991889
1-(5-Fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991891
1-(5-Bromooxazol-2-yl)-7-phenylheptan-1-one
CID 11991988

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole (CID 58101066) is 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole is CC(C)(C)c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole?
The InChIKey is WCWWZUHQTKFBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-14(2,3)13-16-9-12(17-13)8-10-4-6-11(15)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole?
2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole has a molecular weight of 233.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(4-fluorophenyl)methyl]-1,3-oxazole is sourced from PubChem (CID 58101066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).