[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone

C19H19N3O2 — CID 94465633

IUPAC[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C19H19N3O2/c23-19(16-13-18(24-21-16)15-5-2-1-3-6-15)22-12-4-7-17(22)14-8-10-20-11-9-14/h1-3,5-6,8-11,17-18H,4,7,12-13H2/t17-,18+/m0/s1
InChIKeyOCJOADWKJBTJEF-ZWKOTPCHSA-N
MW321.38 g/mol
LogP3.26
Rot. Bonds3

About [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone

[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 94465633) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
PubChem CID94465633
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C19H19N3O2/c23-19(16-13-18(24-21-16)15-5-2-1-3-6-15)22-12-4-7-17(22)14-8-10-20-11-9-14/h1-3,5-6,8-11,17-18H,4,7,12-13H2/t17-,18+/m0/s1
InChIKeyOCJOADWKJBTJEF-ZWKOTPCHSA-N
XLogP3.26
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5aS,8aR)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl]-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 95980444
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420594
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33265057
(3-bromo-2-chlorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 103993846
(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 94609056
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone (CID 94465633) is [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone is O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccncc1.
What is the InChIKey of [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is OCJOADWKJBTJEF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(16-13-18(24-21-16)15-5-2-1-3-6-15)22-12-4-7-17(22)14-8-10-20-11-9-14/h1-3,5-6,8-11,17-18H,4,7,12-13H2/t17-,18+/m0/s1.
What are the key properties of [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).