[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H22N4O2 — CID 110129109

IUPAC[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1noc(C)c1-c1cc(C2CCN(C(=O)c3cccnc3)CC2)ccn1
InChIInChI=1S/C21H22N4O2/c1-14-20(15(2)27-24-14)19-12-17(5-9-23-19)16-6-10-25(11-7-16)21(26)18-4-3-8-22-13-18/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyWNXYPIKXOPBBGB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.77
Rot. Bonds3

About [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110129109) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110129109
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1noc(C)c1-c1cc(C2CCN(C(=O)c3cccnc3)CC2)ccn1
InChIInChI=1S/C21H22N4O2/c1-14-20(15(2)27-24-14)19-12-17(5-9-23-19)16-6-10-25(11-7-16)21(26)18-4-3-8-22-13-18/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyWNXYPIKXOPBBGB-UHFFFAOYSA-N
XLogP3.77
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124989034
[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
CID 110135509
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110129102
4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 110129098
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110129273
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92599697
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 155983856
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110129186

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 110129109) is [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3cccnc3)CC2)ccn1.
What is the InChIKey of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is WNXYPIKXOPBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-20(15(2)27-24-14)19-12-17(5-9-23-19)16-6-10-25(11-7-16)21(26)18-4-3-8-22-13-18/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3.
What are the key properties of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110129109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).