2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole

C14H13N3O — CID 2372894

IUPAC2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnco2)c(C)n1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-10-8-13(14-16-15-9-18-14)11(2)17(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyBBHQIDKHQRYTRC-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.14
Rot. Bonds2

About 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole

2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole (PubChem CID 2372894) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole
PubChem CID2372894
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnco2)c(C)n1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-10-8-13(14-16-15-9-18-14)11(2)17(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyBBHQIDKHQRYTRC-UHFFFAOYSA-N
XLogP3.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole (CID 2372894) is 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole is Cc1cc(-c2nnco2)c(C)n1-c1ccccc1.
What is the InChIKey of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole?
The InChIKey is BBHQIDKHQRYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-8-13(14-16-15-9-18-14)11(2)17(10)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole?
2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole has a molecular weight of 239.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 2372894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).