1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one

C13H13NO2 — CID 115086676

IUPAC1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1cnc(Cc2ccccc2)o1
InChIInChI=1S/C13H13NO2/c1-10(15)7-12-9-14-13(16-12)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyNDPYMSNDQYXXHA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one

1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one (PubChem CID 115086676) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
PubChem CID115086676
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1cnc(Cc2ccccc2)o1
InChIInChI=1S/C13H13NO2/c1-10(15)7-12-9-14-13(16-12)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyNDPYMSNDQYXXHA-UHFFFAOYSA-N
XLogP2.40
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one (CID 115086676) is 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one is CC(=O)Cc1cnc(Cc2ccccc2)o1.
What is the InChIKey of 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one?
The InChIKey is NDPYMSNDQYXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(15)7-12-9-14-13(16-12)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one?
1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 115086676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).