4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C19H12ClF2NOS — CID 23193095

IUPAC4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Cl)cc3)s2)CO1
InChIInChI=1S/C19H12ClF2NOS/c20-12-6-4-11(5-7-12)16-8-9-17(25-16)15-10-24-19(23-15)18-13(21)2-1-3-14(18)22/h1-9,15H,10H2
InChIKeyLABRATKQAPINQM-UHFFFAOYSA-N
MW375.83 g/mol
LogP5.86
Rot. Bonds3

About 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 23193095) has the molecular formula C19H12ClF2NOS and a molecular weight of 375.83 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID23193095
Molecular FormulaC19H12ClF2NOS
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Name4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Cl)cc3)s2)CO1
InChIInChI=1S/C19H12ClF2NOS/c20-12-6-4-11(5-7-12)16-8-9-17(25-16)15-10-24-19(23-15)18-13(21)2-1-3-14(18)22/h1-9,15H,10H2
InChIKeyLABRATKQAPINQM-UHFFFAOYSA-N
XLogP5.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.83
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 23193095) is 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Cl)cc3)s2)CO1.
What is the InChIKey of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LABRATKQAPINQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NOS/c20-12-6-4-11(5-7-12)16-8-9-17(25-16)15-10-24-19(23-15)18-13(21)2-1-3-14(18)22/h1-9,15H,10H2.
What are the key properties of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 375.83 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23193095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).