(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C17H21N3O2 — CID 59170086

IUPAC(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCCCCc1oncc1C(=O)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H21N3O2/c1-2-3-6-16-15(11-19-22-16)17(21)20-9-7-14(12-20)13-5-4-8-18-10-13/h4-5,8,10-11,14H,2-3,6-7,9,12H2,1H3
InChIKeyOJQKWLIRFIYKNU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.04
Rot. Bonds5

About (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 59170086) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID59170086
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCCCCc1oncc1C(=O)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H21N3O2/c1-2-3-6-16-15(11-19-22-16)17(21)20-9-7-14(12-20)13-5-4-8-18-10-13/h4-5,8,10-11,14H,2-3,6-7,9,12H2,1H3
InChIKeyOJQKWLIRFIYKNU-UHFFFAOYSA-N
XLogP3.04
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.04
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-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 59170215
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
[4-(4-ethoxy-3-methylphenyl)-2-methylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67435954
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56892222
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 96580621
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95557893
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72886272

Frequently Asked Questions

What is the IUPAC name of (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 59170086) is (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is CCCCc1oncc1C(=O)N1CCC(c2cccnc2)C1.
What is the InChIKey of (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is OJQKWLIRFIYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-3-6-16-15(11-19-22-16)17(21)20-9-7-14(12-20)13-5-4-8-18-10-13/h4-5,8,10-11,14H,2-3,6-7,9,12H2,1H3.
What are the key properties of (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 59170086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).