(4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one

C17H15NO2S — CID 135070207

IUPAC(4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N[C@H]1CSCc1ccccc1
InChIInChI=1S/C17H15NO2S/c19-17-15(12-21-11-13-7-3-1-4-8-13)18-16(20-17)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyUXHGZJDNDWROCA-HNNXBMFYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds5

About (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one

(4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 135070207) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID135070207
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name(4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N[C@H]1CSCc1ccccc1
InChIInChI=1S/C17H15NO2S/c19-17-15(12-21-11-13-7-3-1-4-8-13)18-16(20-17)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyUXHGZJDNDWROCA-HNNXBMFYSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 135070207) is (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N[C@H]1CSCc1ccccc1.
What is the InChIKey of (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is UXHGZJDNDWROCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-17-15(12-21-11-13-7-3-1-4-8-13)18-16(20-17)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
(4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 297.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(benzylsulfanylmethyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 135070207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).