1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone

C22H24N2O2 — CID 70694194

IUPAC1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C22H24N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-16H2,1H3/t20-,22?/m0/s1
InChIKeyYBYWMKSMBQDBKC-AIBWNMTMSA-N
MW348.45 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone

1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 70694194) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID70694194
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C22H24N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-16H2,1H3/t20-,22?/m0/s1
InChIKeyYBYWMKSMBQDBKC-AIBWNMTMSA-N
XLogP3.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone (CID 70694194) is 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is YBYWMKSMBQDBKC-AIBWNMTMSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-16H2,1H3/t20-,22?/m0/s1.
What are the key properties of 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).