4-benzyl-2H-1,3-oxazol-5-one

C10H9NO2 — CID 562347

IUPAC4-benzyl-2H-1,3-oxazol-5-one
SMILESO=C1OCN=C1Cc1ccccc1
InChIInChI=1S/C10H9NO2/c12-10-9(11-7-13-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeySDTSDCFFGRAPRS-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.18
Rot. Bonds2

About 4-benzyl-2H-1,3-oxazol-5-one

4-benzyl-2H-1,3-oxazol-5-one (PubChem CID 562347) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-benzyl-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-2H-1,3-oxazol-5-one
PubChem CID562347
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-benzyl-2H-1,3-oxazol-5-one
SMILESO=C1OCN=C1Cc1ccccc1
InChIInChI=1S/C10H9NO2/c12-10-9(11-7-13-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeySDTSDCFFGRAPRS-UHFFFAOYSA-N
XLogP1.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2H-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-2H-1,3-oxazol-5-one (CID 562347) is 4-benzyl-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-2H-1,3-oxazol-5-one is O=C1OCN=C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2H-1,3-oxazol-5-one?
The InChIKey is SDTSDCFFGRAPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-9(11-7-13-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-benzyl-2H-1,3-oxazol-5-one?
4-benzyl-2H-1,3-oxazol-5-one has a molecular weight of 175.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2H-1,3-oxazol-5-one is sourced from PubChem (CID 562347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).