[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

C20H25N3O3 — CID 110135423

IUPAC[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1noc(C)c1-c1ccc(C2CCCN2C(=O)C2CCOCC2)nc1
InChIInChI=1S/C20H25N3O3/c1-13-19(14(2)26-22-13)16-5-6-17(21-12-16)18-4-3-9-23(18)20(24)15-7-10-25-11-8-15/h5-6,12,15,18H,3-4,7-11H2,1-2H3
InChIKeyQEGAKQBLUKDOKB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.44
Rot. Bonds3

About [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 110135423) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID110135423
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1noc(C)c1-c1ccc(C2CCCN2C(=O)C2CCOCC2)nc1
InChIInChI=1S/C20H25N3O3/c1-13-19(14(2)26-22-13)16-5-6-17(21-12-16)18-4-3-9-23(18)20(24)15-7-10-25-11-8-15/h5-6,12,15,18H,3-4,7-11H2,1-2H3
InChIKeyQEGAKQBLUKDOKB-UHFFFAOYSA-N
XLogP3.44
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
CID 125020312
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124998744
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129252
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129280
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
CID 124986505
1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 124964238
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
4-[6-[(2R)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997798
4-[6-[(2S)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997797
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 110135425

Frequently Asked Questions

What is the IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 110135423) is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is Cc1noc(C)c1-c1ccc(C2CCCN2C(=O)C2CCOCC2)nc1.
What is the InChIKey of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is QEGAKQBLUKDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-19(14(2)26-22-13)16-5-6-17(21-12-16)18-4-3-9-23(18)20(24)15-7-10-25-11-8-15/h5-6,12,15,18H,3-4,7-11H2,1-2H3.
What are the key properties of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110135423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).