4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C15H9ClF3NO — CID 14853293

IUPAC4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cc(C2COC(c3c(F)cccc3F)=N2)ccc1Cl
InChIInChI=1S/C15H9ClF3NO/c16-9-5-4-8(6-12(9)19)13-7-21-15(20-13)14-10(17)2-1-3-11(14)18/h1-6,13H,7H2
InChIKeyNJPOIDHXDDZRMN-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.28
Rot. Bonds2

About 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853293) has the molecular formula C15H9ClF3NO and a molecular weight of 311.69 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853293
Molecular FormulaC15H9ClF3NO
Molecular Weight311.69 g/mol
Exact Mass311.03
IUPAC Name4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cc(C2COC(c3c(F)cccc3F)=N2)ccc1Cl
InChIInChI=1S/C15H9ClF3NO/c16-9-5-4-8(6-12(9)19)13-7-21-15(20-13)14-10(17)2-1-3-11(14)18/h1-6,13H,7H2
InChIKeyNJPOIDHXDDZRMN-UHFFFAOYSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853293) is 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cc(C2COC(c3c(F)cccc3F)=N2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NJPOIDHXDDZRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO/c16-9-5-4-8(6-12(9)19)13-7-21-15(20-13)14-10(17)2-1-3-11(14)18/h1-6,13H,7H2.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 311.69 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).