(4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone

C17H11ClF3NO3 — CID 155413386

IUPAC(4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H11ClF3NO3/c18-13-7-5-12(6-8-13)15(23)11-3-1-10(2-4-11)14-9-16(24,25-22-14)17(19,20)21/h1-8,24H,9H2
InChIKeyBUXKWHQJQQZIMW-UHFFFAOYSA-N
MW369.73 g/mol
LogP3.95
Rot. Bonds3

About (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone

(4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone (PubChem CID 155413386) has the molecular formula C17H11ClF3NO3 and a molecular weight of 369.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
PubChem CID155413386
Molecular FormulaC17H11ClF3NO3
Molecular Weight369.73 g/mol
Exact Mass369.04
IUPAC Name(4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H11ClF3NO3/c18-13-7-5-12(6-8-13)15(23)11-3-1-10(2-4-11)14-9-16(24,25-22-14)17(19,20)21/h1-8,24H,9H2
InChIKeyBUXKWHQJQQZIMW-UHFFFAOYSA-N
XLogP3.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone (CID 155413386) is (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
The InChIKey is BUXKWHQJQQZIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO3/c18-13-7-5-12(6-8-13)15(23)11-3-1-10(2-4-11)14-9-16(24,25-22-14)17(19,20)21/h1-8,24H,9H2.
What are the key properties of (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone?
(4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone has a molecular weight of 369.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanone is sourced from PubChem (CID 155413386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).