(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one

C16H13NO2 — CID 7016908

IUPAC(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1
InChIKeyRWJSXVNLBHUVDP-AWEZNQCLSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds3

About (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one

(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 7016908) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID7016908
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1
InChIKeyRWJSXVNLBHUVDP-AWEZNQCLSA-N
XLogP2.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one (CID 7016908) is (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N[C@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is RWJSXVNLBHUVDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one?
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 251.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 7016908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).