5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole

C13H12N2O — CID 158354992

IUPAC5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2CC(n3cccc3)=NO2)cc1
InChIInChI=1S/C13H12N2O/c1-2-6-11(7-3-1)12-10-13(14-16-12)15-8-4-5-9-15/h1-9,12H,10H2
InChIKeyGSTLNPKZTBDTBL-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.81
Rot. Bonds1

About 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole

5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole (PubChem CID 158354992) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole
PubChem CID158354992
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2CC(n3cccc3)=NO2)cc1
InChIInChI=1S/C13H12N2O/c1-2-6-11(7-3-1)12-10-13(14-16-12)15-8-4-5-9-15/h1-9,12H,10H2
InChIKeyGSTLNPKZTBDTBL-UHFFFAOYSA-N
XLogP2.81
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole (CID 158354992) is 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole is c1ccc(C2CC(n3cccc3)=NO2)cc1.
What is the InChIKey of 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is GSTLNPKZTBDTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-6-11(7-3-1)12-10-13(14-16-12)15-8-4-5-9-15/h1-9,12H,10H2.
What are the key properties of 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole?
5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 212.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 158354992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).