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

C14H8F3NOS — CID 10780195

IUPAC4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(-c2cccs2)nc1-c1ccccc1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)12-11(9-5-2-1-3-6-9)18-13(19-12)10-7-4-8-20-10/h1-8H
InChIKeyNOPFZEBAVXAGDN-UHFFFAOYSA-N
MW295.29 g/mol
LogP5.09
Rot. Bonds2

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

4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 10780195) has the molecular formula C14H8F3NOS and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID10780195
Molecular FormulaC14H8F3NOS
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(-c2cccs2)nc1-c1ccccc1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)12-11(9-5-2-1-3-6-9)18-13(19-12)10-7-4-8-20-10/h1-8H
InChIKeyNOPFZEBAVXAGDN-UHFFFAOYSA-N
XLogP5.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.29
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole (CID 10780195) is 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1oc(-c2cccs2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is NOPFZEBAVXAGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NOS/c15-14(16,17)12-11(9-5-2-1-3-6-9)18-13(19-12)10-7-4-8-20-10/h1-8H.
What are the key properties of 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole?
4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 295.29 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 10780195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).