1,3-oxazole;2-phenyl-1H-pyrrole

C13H12N2O — CID 139558983

IUPAC1,3-oxazole;2-phenyl-1H-pyrrole
SMILESc1ccc(-c2ccc[nH]2)cc1.c1cocn1
InChIInChI=1S/C10H9N.C3H3NO/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-5-3-4-1/h1-8,11H;1-3H
InChIKeyRVDVEWFGECATMA-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.36
Rot. Bonds1

About 1,3-oxazole;2-phenyl-1H-pyrrole

1,3-oxazole;2-phenyl-1H-pyrrole (PubChem CID 139558983) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-oxazole;2-phenyl-1H-pyrrole.

Molecular Properties

Compound Name1,3-oxazole;2-phenyl-1H-pyrrole
PubChem CID139558983
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1,3-oxazole;2-phenyl-1H-pyrrole
SMILESc1ccc(-c2ccc[nH]2)cc1.c1cocn1
InChIInChI=1S/C10H9N.C3H3NO/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-5-3-4-1/h1-8,11H;1-3H
InChIKeyRVDVEWFGECATMA-UHFFFAOYSA-N
XLogP3.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;2-phenyl-1H-pyrrole?
The IUPAC name of 1,3-oxazole;2-phenyl-1H-pyrrole (CID 139558983) is 1,3-oxazole;2-phenyl-1H-pyrrole.
What is the SMILES notation for 1,3-oxazole;2-phenyl-1H-pyrrole?
The canonical SMILES for 1,3-oxazole;2-phenyl-1H-pyrrole is c1ccc(-c2ccc[nH]2)cc1.c1cocn1.
What is the InChIKey of 1,3-oxazole;2-phenyl-1H-pyrrole?
The InChIKey is RVDVEWFGECATMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C3H3NO/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-5-3-4-1/h1-8,11H;1-3H.
What are the key properties of 1,3-oxazole;2-phenyl-1H-pyrrole?
1,3-oxazole;2-phenyl-1H-pyrrole has a molecular weight of 212.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;2-phenyl-1H-pyrrole is sourced from PubChem (CID 139558983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).