3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one

C12H12N2O3 — CID 15507410

IUPAC3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one
SMILESCC(C)c1nn(C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C12H12N2O3/c1-8(2)10-13-14(12(16)17-10)11(15)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeySPPGVOYCGKQWIK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.65
Rot. Bonds2

About 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one

3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 15507410) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one
PubChem CID15507410
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one
SMILESCC(C)c1nn(C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C12H12N2O3/c1-8(2)10-13-14(12(16)17-10)11(15)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeySPPGVOYCGKQWIK-UHFFFAOYSA-N
XLogP1.65
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one (CID 15507410) is 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one is CC(C)c1nn(C(=O)c2ccccc2)c(=O)o1.
What is the InChIKey of 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is SPPGVOYCGKQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(2)10-13-14(12(16)17-10)11(15)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one?
3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 15507410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).