2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole

C14H13N3O — CID 71563567

IUPAC2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3)o2)n1C
InChIInChI=1S/C14H13N3O/c1-10-8-9-12(17(10)2)14-16-15-13(18-14)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOSNUOVCEKQYJSG-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.05
Rot. Bonds2

About 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole

2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 71563567) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID71563567
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3)o2)n1C
InChIInChI=1S/C14H13N3O/c1-10-8-9-12(17(10)2)14-16-15-13(18-14)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOSNUOVCEKQYJSG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenylpiperidin-3-ol
CID 162630244
2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 102706038
2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 86008820
2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 118464988
2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one
CID 57413400
CID 136857420
CID 136857420
2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole
CID 71175422
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole (CID 71563567) is 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccccc3)o2)n1C.
What is the InChIKey of 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is OSNUOVCEKQYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-8-9-12(17(10)2)14-16-15-13(18-14)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole?
2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 239.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 71563567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).