2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole

C11H7ClF3NO2 — CID 718945

IUPAC2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1oc(-c2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NO2/c1-17-10-8(11(13,14)15)16-9(18-10)6-2-4-7(12)5-3-6/h2-5H,1H3
InChIKeyZNRGRZVYTCGWAW-UHFFFAOYSA-N
MW277.63 g/mol
LogP4.02
Rot. Bonds2

About 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole

2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 718945) has the molecular formula C11H7ClF3NO2 and a molecular weight of 277.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
PubChem CID718945
Molecular FormulaC11H7ClF3NO2
Molecular Weight277.63 g/mol
Exact Mass277.01
IUPAC Name2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1oc(-c2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NO2/c1-17-10-8(11(13,14)15)16-9(18-10)6-2-4-7(12)5-3-6/h2-5H,1H3
InChIKeyZNRGRZVYTCGWAW-UHFFFAOYSA-N
XLogP4.02
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole (CID 718945) is 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole is COc1oc(-c2ccc(Cl)cc2)nc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is ZNRGRZVYTCGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2/c1-17-10-8(11(13,14)15)16-9(18-10)6-2-4-7(12)5-3-6/h2-5H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole?
2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 277.63 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methoxy-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 718945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).