[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C20H24N4O3S — CID 53168430

IUPAC[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3cccnc3)CC2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C20H24N4O3S/c1-14-17(20(26)24-9-11-28-12-10-24)22-18(27-14)15-4-7-23(8-5-15)19(25)16-3-2-6-21-13-16/h2-3,6,13,15H,4-5,7-12H2,1H3
InChIKeyXVKUGVUXEBSCOV-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.59
Rot. Bonds3

About [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 53168430) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID53168430
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3cccnc3)CC2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C20H24N4O3S/c1-14-17(20(26)24-9-11-28-12-10-24)22-18(27-14)15-4-7-23(8-5-15)19(25)16-3-2-6-21-13-16/h2-3,6,13,15H,4-5,7-12H2,1H3
InChIKeyXVKUGVUXEBSCOV-UHFFFAOYSA-N
XLogP2.59
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

2-Cyclopropyl-5-[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47055415
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
3-{4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carbonyl}-2-(methylsulfanyl)pyridine
CID 53168359
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
4-{[5-Methyl-2-(1-{[2-(methylthio)pyridin-3-yl]carbonyl}piperidin-4-yl)-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168408
4-{[2-(1-Isonicotinoylpiperidin-4-yl)-5-methyl-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168410
4-(5-Methyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-YL}-1,3-oxazole-4-carbonyl)thiomorpholine
CID 53168425
4-{5-Methyl-2-[1-(pyridine-4-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carbonyl}thiomorpholine
CID 53168428
(2-Cyclobutyl-5-methyl-1,3-oxazol-4-yl)[2-(3-pyridyl)piperidino]methanone
CID 53195327
{5-Methyl-2-[1-(2-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(morpholino)methanone
CID 71837673
(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96573795
2-Isopropyl-5-{[2-(trifluoromethyl)-3-pyridinyl]carbonyl}-4,5,6,7-tetrahydro[1,3]oxazolo[4,5-c]pyridine
CID 170512085

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 53168430) is [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1oc(C2CCN(C(=O)c3cccnc3)CC2)nc1C(=O)N1CCSCC1.
What is the InChIKey of [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XVKUGVUXEBSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-17(20(26)24-9-11-28-12-10-24)22-18(27-14)15-4-7-23(8-5-15)19(25)16-3-2-6-21-13-16/h2-3,6,13,15H,4-5,7-12H2,1H3.
What are the key properties of [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 400.50 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 53168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).