4-phenyl-5-propyl-3H-1,3-oxazol-2-one

C12H13NO2 — CID 121008217

IUPAC4-phenyl-5-propyl-3H-1,3-oxazol-2-one
SMILESCCCc1oc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-6-10-11(13-12(14)15-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyGIEYCRNGZYTZNT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.59
Rot. Bonds3

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

4-phenyl-5-propyl-3H-1,3-oxazol-2-one (PubChem CID 121008217) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-phenyl-5-propyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-phenyl-5-propyl-3H-1,3-oxazol-2-one
PubChem CID121008217
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-phenyl-5-propyl-3H-1,3-oxazol-2-one
SMILESCCCc1oc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-6-10-11(13-12(14)15-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyGIEYCRNGZYTZNT-UHFFFAOYSA-N
XLogP2.59
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-phenyl-5-propyl-3H-1,3-oxazol-2-one (CID 121008217) is 4-phenyl-5-propyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-phenyl-5-propyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-phenyl-5-propyl-3H-1,3-oxazol-2-one is CCCc1oc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propyl-3H-1,3-oxazol-2-one?
The InChIKey is GIEYCRNGZYTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-6-10-11(13-12(14)15-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14).
What are the key properties of 4-phenyl-5-propyl-3H-1,3-oxazol-2-one?
4-phenyl-5-propyl-3H-1,3-oxazol-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 121008217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).