(5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one

C19H17F2NO2 — CID 122400815

IUPAC(5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2ccccc2F)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C19H17F2NO2/c1-12(2)19(11-14-6-3-4-9-16(14)21)18(23)22-17(24-19)13-7-5-8-15(20)10-13/h3-10,12H,11H2,1-2H3/t19-/m1/s1
InChIKeyJWHCTZGEOVWSRD-LJQANCHMSA-N
MW329.35 g/mol
LogP3.91
Rot. Bonds4

About (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one

(5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 122400815) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID122400815
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name(5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2ccccc2F)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C19H17F2NO2/c1-12(2)19(11-14-6-3-4-9-16(14)21)18(23)22-17(24-19)13-7-5-8-15(20)10-13/h3-10,12H,11H2,1-2H3/t19-/m1/s1
InChIKeyJWHCTZGEOVWSRD-LJQANCHMSA-N
XLogP3.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one (CID 122400815) is (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one is CC(C)[C@@]1(Cc2ccccc2F)OC(c2cccc(F)c2)=NC1=O.
What is the InChIKey of (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is JWHCTZGEOVWSRD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-12(2)19(11-14-6-3-4-9-16(14)21)18(23)22-17(24-19)13-7-5-8-15(20)10-13/h3-10,12H,11H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 329.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 122400815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).