2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

C17H23N3O — CID 95314623

IUPAC2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CC[C@H](c3ccccc3)C2)o1
InChIInChI=1S/C17H23N3O/c1-17(2,3)16-19-18-15(21-16)12-20-10-9-14(11-20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyJQWAUYZQHSFDCB-AWEZNQCLSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds3

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

2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95314623) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95314623
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CC[C@H](c3ccccc3)C2)o1
InChIInChI=1S/C17H23N3O/c1-17(2,3)16-19-18-15(21-16)12-20-10-9-14(11-20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyJQWAUYZQHSFDCB-AWEZNQCLSA-N
XLogP3.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95314623) is 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(CN2CC[C@H](c3ccccc3)C2)o1.
What is the InChIKey of 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JQWAUYZQHSFDCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)16-19-18-15(21-16)12-20-10-9-14(11-20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 285.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95314623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).