(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine

C13H18FNO2 — CID 145228461

IUPAC(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
SMILESCOCCN1C[C@@H](C)[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C13H18FNO2/c1-10-9-15(7-8-16-2)17-13(10)11-3-5-12(14)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyCVBCYZHZNVOVTO-ZWNOBZJWSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds4

About (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine

(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine (PubChem CID 145228461) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
PubChem CID145228461
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
SMILESCOCCN1C[C@@H](C)[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C13H18FNO2/c1-10-9-15(7-8-16-2)17-13(10)11-3-5-12(14)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyCVBCYZHZNVOVTO-ZWNOBZJWSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The IUPAC name of (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine (CID 145228461) is (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine.
What is the SMILES notation for (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The canonical SMILES for (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine is COCCN1C[C@@H](C)[C@H](c2ccc(F)cc2)O1.
What is the InChIKey of (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The InChIKey is CVBCYZHZNVOVTO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10-9-15(7-8-16-2)17-13(10)11-3-5-12(14)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine is sourced from PubChem (CID 145228461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).