5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole

C15H9ClF4N2O — CID 141334037

IUPAC5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFc1cc(Cl)cc(C2(C(F)(F)F)CC(c3cccnc3)=NO2)c1
InChIInChI=1S/C15H9ClF4N2O/c16-11-4-10(5-12(17)6-11)14(15(18,19)20)7-13(22-23-14)9-2-1-3-21-8-9/h1-6,8H,7H2
InChIKeyWBMWNSHVJIVFJP-UHFFFAOYSA-N
MW344.70 g/mol
LogP4.46
Rot. Bonds2

About 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole

5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 141334037) has the molecular formula C15H9ClF4N2O and a molecular weight of 344.70 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID141334037
Molecular FormulaC15H9ClF4N2O
Molecular Weight344.70 g/mol
Exact Mass344.03
IUPAC Name5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFc1cc(Cl)cc(C2(C(F)(F)F)CC(c3cccnc3)=NO2)c1
InChIInChI=1S/C15H9ClF4N2O/c16-11-4-10(5-12(17)6-11)14(15(18,19)20)7-13(22-23-14)9-2-1-3-21-8-9/h1-6,8H,7H2
InChIKeyWBMWNSHVJIVFJP-UHFFFAOYSA-N
XLogP4.46
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 141334037) is 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole is Fc1cc(Cl)cc(C2(C(F)(F)F)CC(c3cccnc3)=NO2)c1.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is WBMWNSHVJIVFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2O/c16-11-4-10(5-12(17)6-11)14(15(18,19)20)7-13(22-23-14)9-2-1-3-21-8-9/h1-6,8H,7H2.
What are the key properties of 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 344.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-3-pyridin-3-yl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 141334037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).