2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

C19H19N3O — CID 18137754

IUPAC2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCC3c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O/c1-3-8-15(9-4-1)17-12-7-13-22(17)14-18-20-21-19(23-18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyBHBMTRDTQAWGBU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.07
Rot. Bonds4

About 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 18137754) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID18137754
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCC3c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O/c1-3-8-15(9-4-1)17-12-7-13-22(17)14-18-20-21-19(23-18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyBHBMTRDTQAWGBU-UHFFFAOYSA-N
XLogP4.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole (CID 18137754) is 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCCC3c3ccccc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is BHBMTRDTQAWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-8-15(9-4-1)17-12-7-13-22(17)14-18-20-21-19(23-18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18137754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).