(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine

C18H17ClF3NO2 — CID 135055038

IUPAC(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H17ClF3NO2/c1-2-24-17-11-16(12-3-5-13(6-4-12)18(20,21)22)23(25-17)15-9-7-14(19)8-10-15/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1
InChIKeyDDUQPMSHWRDNIK-IAGOWNOFSA-N
MW371.79 g/mol
LogP5.60
Rot. Bonds4

About (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine

(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine (PubChem CID 135055038) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
PubChem CID135055038
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC Name(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H17ClF3NO2/c1-2-24-17-11-16(12-3-5-13(6-4-12)18(20,21)22)23(25-17)15-9-7-14(19)8-10-15/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1
InChIKeyDDUQPMSHWRDNIK-IAGOWNOFSA-N
XLogP5.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The IUPAC name of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine (CID 135055038) is (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine is CCO[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(Cl)cc2)O1.
What is the InChIKey of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The InChIKey is DDUQPMSHWRDNIK-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-2-24-17-11-16(12-3-5-13(6-4-12)18(20,21)22)23(25-17)15-9-7-14(19)8-10-15/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine has a molecular weight of 371.79 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine is sourced from PubChem (CID 135055038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).