2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole

C23H19ClFNO2 — CID 15007842

IUPAC2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCOc1ccc(-c2ccc(C3COC(c4c(F)cccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C23H19ClFNO2/c1-2-27-18-12-10-16(11-13-18)15-6-8-17(9-7-15)21-14-28-23(26-21)22-19(24)4-3-5-20(22)25/h3-13,21H,2,14H2,1H3
InChIKeyOHCPXVLPQCYTDS-UHFFFAOYSA-N
MW395.86 g/mol
LogP6.06
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole

2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15007842) has the molecular formula C23H19ClFNO2 and a molecular weight of 395.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID15007842
Molecular FormulaC23H19ClFNO2
Molecular Weight395.86 g/mol
Exact Mass395.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCOc1ccc(-c2ccc(C3COC(c4c(F)cccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C23H19ClFNO2/c1-2-27-18-12-10-16(11-13-18)15-6-8-17(9-7-15)21-14-28-23(26-21)22-19(24)4-3-5-20(22)25/h3-13,21H,2,14H2,1H3
InChIKeyOHCPXVLPQCYTDS-UHFFFAOYSA-N
XLogP6.06
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.86
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 15007842) is 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole is CCOc1ccc(-c2ccc(C3COC(c4c(F)cccc4Cl)=N3)cc2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OHCPXVLPQCYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO2/c1-2-27-18-12-10-16(11-13-18)15-6-8-17(9-7-15)21-14-28-23(26-21)22-19(24)4-3-5-20(22)25/h3-13,21H,2,14H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 395.86 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).