(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one

C23H20FNO2 — CID 122400821

IUPAC(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2ccc3ccccc3c2)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C23H20FNO2/c1-15(2)23(14-16-10-11-17-6-3-4-7-18(17)12-16)22(26)25-21(27-23)19-8-5-9-20(24)13-19/h3-13,15H,14H2,1-2H3/t23-/m1/s1
InChIKeySPEHHTQMLSWJHT-HSZRJFAPSA-N
MW361.42 g/mol
LogP4.92
Rot. Bonds4

About (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one

(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 122400821) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID122400821
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2ccc3ccccc3c2)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C23H20FNO2/c1-15(2)23(14-16-10-11-17-6-3-4-7-18(17)12-16)22(26)25-21(27-23)19-8-5-9-20(24)13-19/h3-13,15H,14H2,1-2H3/t23-/m1/s1
InChIKeySPEHHTQMLSWJHT-HSZRJFAPSA-N
XLogP4.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.92
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-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one (CID 122400821) is (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one is CC(C)[C@@]1(Cc2ccc3ccccc3c2)OC(c2cccc(F)c2)=NC1=O.
What is the InChIKey of (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is SPEHHTQMLSWJHT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-15(2)23(14-16-10-11-17-6-3-4-7-18(17)12-16)22(26)25-21(27-23)19-8-5-9-20(24)13-19/h3-13,15H,14H2,1-2H3/t23-/m1/s1.
What are the key properties of (5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 361.42 g/mol, XLogP of 4.92, 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-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 122400821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).