4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C21H14ClF2NO2 — CID 71739475

IUPAC4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Oc3ccc(Cl)cc3)cc2)CO1
InChIInChI=1S/C21H14ClF2NO2/c22-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)19-12-26-21(25-19)20-17(23)2-1-3-18(20)24/h1-11,19H,12H2
InChIKeyDQHGLATXMLVQGZ-UHFFFAOYSA-N
MW385.80 g/mol
LogP5.93
Rot. Bonds4

About 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 71739475) has the molecular formula C21H14ClF2NO2 and a molecular weight of 385.80 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID71739475
Molecular FormulaC21H14ClF2NO2
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Oc3ccc(Cl)cc3)cc2)CO1
InChIInChI=1S/C21H14ClF2NO2/c22-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)19-12-26-21(25-19)20-17(23)2-1-3-18(20)24/h1-11,19H,12H2
InChIKeyDQHGLATXMLVQGZ-UHFFFAOYSA-N
XLogP5.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.80
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 71739475) is 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(Oc3ccc(Cl)cc3)cc2)CO1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DQHGLATXMLVQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2NO2/c22-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)19-12-26-21(25-19)20-17(23)2-1-3-18(20)24/h1-11,19H,12H2.
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 385.80 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71739475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).