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

C19H16ClN3O2 — CID 59170215

IUPAC[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1
InChIInChI=1S/C19H16ClN3O2/c20-16-5-1-3-13(9-16)18-17(11-22-25-18)19(24)23-8-6-15(12-23)14-4-2-7-21-10-14/h1-5,7,9-11,15H,6,8,12H2/t15-/m0/s1
InChIKeyWGQFUFIVBOJBMS-HNNXBMFYSA-N
MW353.81 g/mol
LogP4.02
Rot. Bonds3

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

[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 59170215) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID59170215
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1
InChIInChI=1S/C19H16ClN3O2/c20-16-5-1-3-13(9-16)18-17(11-22-25-18)19(24)23-8-6-15(12-23)14-4-2-7-21-10-14/h1-5,7,9-11,15H,6,8,12H2/t15-/m0/s1
InChIKeyWGQFUFIVBOJBMS-HNNXBMFYSA-N
XLogP4.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 24809760
(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170086
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
[3-(4-chlorophenyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
CID 59170126
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 24809861
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 59170111
[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 59170222
(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 58838391
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67188141

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 59170215) is [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is O=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is WGQFUFIVBOJBMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-5-1-3-13(9-16)18-17(11-22-25-18)19(24)23-8-6-15(12-23)14-4-2-7-21-10-14/h1-5,7,9-11,15H,6,8,12H2/t15-/m0/s1.
What are the key properties of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 353.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 59170215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).