(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone

C18H20F2N4O2 — CID 118450651

IUPAC(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1nc(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2)co1
InChIInChI=1S/C18H20F2N4O2/c1-12-22-15(9-26-12)14-2-5-21-8-16(14)23-6-3-13(4-7-23)17(25)24-10-18(19,20)11-24/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeyWAIBVTJSARFMMM-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.74
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone

(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone (PubChem CID 118450651) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
PubChem CID118450651
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1nc(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2)co1
InChIInChI=1S/C18H20F2N4O2/c1-12-22-15(9-26-12)14-2-5-21-8-16(14)23-6-3-13(4-7-23)17(25)24-10-18(19,20)11-24/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeyWAIBVTJSARFMMM-UHFFFAOYSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one
CID 118450542
N,N-dimethyl-1-(4-pyridin-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450392
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124689347
3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 171992777
methyl (2S)-5,5-dimethyl-1-[1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate
CID 118450585
[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53008817
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
2-methyl-4-pyridin-3-yl-1,3-oxazole
CID 19018561

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone (CID 118450651) is (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone is Cc1nc(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2)co1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is WAIBVTJSARFMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-12-22-15(9-26-12)14-2-5-21-8-16(14)23-6-3-13(4-7-23)17(25)24-10-18(19,20)11-24/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 362.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-oxazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 118450651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).