(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol

C17H12ClF2NO2 — CID 6929312

IUPAC(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol
SMILESCc1onc(-c2c(F)cccc2Cl)c1[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H12ClF2NO2/c1-9-14(17(22)10-5-7-11(19)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)20/h2-8,17,22H,1H3/t17-/m1/s1
InChIKeyTZJWGMXPGXPUIS-QGZVFWFLSA-N
MW335.74 g/mol
LogP4.66
Rot. Bonds3

About (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol

(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol (PubChem CID 6929312) has the molecular formula C17H12ClF2NO2 and a molecular weight of 335.74 g/mol. Its IUPAC name is (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol
PubChem CID6929312
Molecular FormulaC17H12ClF2NO2
Molecular Weight335.74 g/mol
Exact Mass335.05
IUPAC Name(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol
SMILESCc1onc(-c2c(F)cccc2Cl)c1[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H12ClF2NO2/c1-9-14(17(22)10-5-7-11(19)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)20/h2-8,17,22H,1H3/t17-/m1/s1
InChIKeyTZJWGMXPGXPUIS-QGZVFWFLSA-N
XLogP4.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol (CID 6929312) is (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol is Cc1onc(-c2c(F)cccc2Cl)c1[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is TZJWGMXPGXPUIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H12ClF2NO2/c1-9-14(17(22)10-5-7-11(19)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)20/h2-8,17,22H,1H3/t17-/m1/s1.
What are the key properties of (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol?
(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 335.74 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 6929312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).