4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

C14H14F3NO — CID 10730671

IUPAC4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCCC(C)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-3-9(2)11-12(14(15,16)17)19-13(18-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyRYWXWBDMNOYEHF-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.87
Rot. Bonds3

About 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 10730671) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID10730671
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCCC(C)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-3-9(2)11-12(14(15,16)17)19-13(18-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyRYWXWBDMNOYEHF-UHFFFAOYSA-N
XLogP4.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (CID 10730671) is 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is CCC(C)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is RYWXWBDMNOYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-3-9(2)11-12(14(15,16)17)19-13(18-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 269.27 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 10730671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).