1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C20H25N3O2 — CID 95305012

IUPAC1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H25N3O2/c1-15(24)23-12-6-10-20(23)19-9-5-11-22(19)14-17-13-18(21-25-17)16-7-3-2-4-8-16/h2-4,7-8,13,19-20H,5-6,9-12,14H2,1H3/t19-,20+/m0/s1
InChIKeyAMIHEWAUAYVWMQ-VQTJNVASSA-N
MW339.44 g/mol
LogP3.32
Rot. Bonds4

About 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95305012) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95305012
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H25N3O2/c1-15(24)23-12-6-10-20(23)19-9-5-11-22(19)14-17-13-18(21-25-17)16-7-3-2-4-8-16/h2-4,7-8,13,19-20H,5-6,9-12,14H2,1H3/t19-,20+/m0/s1
InChIKeyAMIHEWAUAYVWMQ-VQTJNVASSA-N
XLogP3.32
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95305012) is 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is AMIHEWAUAYVWMQ-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(24)23-12-6-10-20(23)19-9-5-11-22(19)14-17-13-18(21-25-17)16-7-3-2-4-8-16/h2-4,7-8,13,19-20H,5-6,9-12,14H2,1H3/t19-,20+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95305012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).