2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one

C12H13NO3 — CID 14363752

IUPAC2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one
SMILESCC(C)OC1=NC(c2ccccc2)OC1=O
InChIInChI=1S/C12H13NO3/c1-8(2)15-11-12(14)16-10(13-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyDBXRUCZDQSDOET-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.07
Rot. Bonds2

About 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one

2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one (PubChem CID 14363752) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one
PubChem CID14363752
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one
SMILESCC(C)OC1=NC(c2ccccc2)OC1=O
InChIInChI=1S/C12H13NO3/c1-8(2)15-11-12(14)16-10(13-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyDBXRUCZDQSDOET-UHFFFAOYSA-N
XLogP2.07
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one?
The IUPAC name of 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one (CID 14363752) is 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one.
What is the SMILES notation for 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one?
The canonical SMILES for 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one is CC(C)OC1=NC(c2ccccc2)OC1=O.
What is the InChIKey of 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one?
The InChIKey is DBXRUCZDQSDOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(2)15-11-12(14)16-10(13-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one?
2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one has a molecular weight of 219.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yloxy-2H-1,3-oxazol-5-one is sourced from PubChem (CID 14363752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).