2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole

C19H13F2NOS — CID 19046235

IUPAC2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccccc3)s2)CO1
InChIInChI=1S/C19H13F2NOS/c20-13-7-4-8-14(21)18(13)19-22-15(11-23-19)17-10-9-16(24-17)12-5-2-1-3-6-12/h1-10,15H,11H2
InChIKeyJUXFPZAQWINAGE-UHFFFAOYSA-N
MW341.38 g/mol
LogP5.21
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 19046235) has the molecular formula C19H13F2NOS and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID19046235
Molecular FormulaC19H13F2NOS
Molecular Weight341.38 g/mol
Exact Mass341.07
IUPAC Name2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccccc3)s2)CO1
InChIInChI=1S/C19H13F2NOS/c20-13-7-4-8-14(21)18(13)19-22-15(11-23-19)17-10-9-16(24-17)12-5-2-1-3-6-12/h1-10,15H,11H2
InChIKeyJUXFPZAQWINAGE-UHFFFAOYSA-N
XLogP5.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole (CID 19046235) is 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccccc3)s2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JUXFPZAQWINAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NOS/c20-13-7-4-8-14(21)18(13)19-22-15(11-23-19)17-10-9-16(24-17)12-5-2-1-3-6-12/h1-10,15H,11H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 341.38 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19046235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).