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

C20H19N3O2 — CID 24809686

IUPAC[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCC(c3ccncc3)C2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-2-4-16(5-3-14)19-18(12-22-25-19)20(24)23-11-8-17(13-23)15-6-9-21-10-7-15/h2-7,9-10,12,17H,8,11,13H2,1H3
InChIKeyBJQORBXMKRVUED-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.67
Rot. Bonds3

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

[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 24809686) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID24809686
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCC(c3ccncc3)C2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-2-4-16(5-3-14)19-18(12-22-25-19)20(24)23-11-8-17(13-23)15-6-9-21-10-7-15/h2-7,9-10,12,17H,8,11,13H2,1H3
InChIKeyBJQORBXMKRVUED-UHFFFAOYSA-N
XLogP3.67
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508
[3-(4-chlorophenyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
CID 59170126
[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 24809861
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170072
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 59170215
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 59170222
N-[1-(3-pyridin-4-ylpyrrolidin-1-yl)ethylidene]acetamide
CID 142185222
1-benzofuran;ethyl 1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]pyrrolidine-3-carboxylate
CID 143615474
(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170086
[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170199

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 24809686) is [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccncc3)C2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is BJQORBXMKRVUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-2-4-16(5-3-14)19-18(12-22-25-19)20(24)23-11-8-17(13-23)15-6-9-21-10-7-15/h2-7,9-10,12,17H,8,11,13H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24809686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).