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

C20H20FNO2 — CID 122400819

IUPAC(5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one
SMILESCc1ccc(C[C@]2(C(C)C)OC(c3cccc(F)c3)=NC2=O)cc1
InChIInChI=1S/C20H20FNO2/c1-13(2)20(12-15-9-7-14(3)8-10-15)19(23)22-18(24-20)16-5-4-6-17(21)11-16/h4-11,13H,12H2,1-3H3/t20-/m1/s1
InChIKeyPDXIUTXNKLSPTH-HXUWFJFHSA-N
MW325.38 g/mol
LogP4.08
Rot. Bonds4

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

(5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 122400819) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID122400819
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one
SMILESCc1ccc(C[C@]2(C(C)C)OC(c3cccc(F)c3)=NC2=O)cc1
InChIInChI=1S/C20H20FNO2/c1-13(2)20(12-15-9-7-14(3)8-10-15)19(23)22-18(24-20)16-5-4-6-17(21)11-16/h4-11,13H,12H2,1-3H3/t20-/m1/s1
InChIKeyPDXIUTXNKLSPTH-HXUWFJFHSA-N
XLogP4.08
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.08
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-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one (CID 122400819) is (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one is Cc1ccc(C[C@]2(C(C)C)OC(c3cccc(F)c3)=NC2=O)cc1.
What is the InChIKey of (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is PDXIUTXNKLSPTH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-13(2)20(12-15-9-7-14(3)8-10-15)19(23)22-18(24-20)16-5-4-6-17(21)11-16/h4-11,13H,12H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-2-(3-fluorophenyl)-5-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 325.38 g/mol, XLogP of 4.08, 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-[(4-methylphenyl)methyl]-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 122400819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).