[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

C21H26N4O4S — CID 53168408

IUPAC[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C21H26N4O4S/c1-14-17(21(27)25-10-12-28-13-11-25)23-18(29-14)15-5-8-24(9-6-15)20(26)16-4-3-7-22-19(16)30-2/h3-4,7,15H,5-6,8-13H2,1-2H3
InChIKeyNPQQUHBMLRLUKB-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.59
Rot. Bonds4

About [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 53168408) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID53168408
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C21H26N4O4S/c1-14-17(21(27)25-10-12-28-13-11-25)23-18(29-14)15-5-8-24(9-6-15)20(26)16-4-3-7-22-19(16)30-2/h3-4,7,15H,5-6,8-13H2,1-2H3
InChIKeyNPQQUHBMLRLUKB-UHFFFAOYSA-N
XLogP2.59
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclopropyl-5-[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47055415
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-{[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
4-{5-Methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carbonyl}thiomorpholine
CID 53168430
{5-Methyl-2-[1-(2-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(morpholino)methanone
CID 71837673
2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 87043471
4-{4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carbonyl}pyridine
CID 53168361
(2-{1-[(2-Chloro-3-pyridyl)carbonyl]-4-piperidyl}-5-methyl-1,3-oxazol-4-yl)(morpholino)methanone
CID 71837686
(4-Methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856397

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (CID 53168408) is [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1.
What is the InChIKey of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is NPQQUHBMLRLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-17(21(27)25-10-12-28-13-11-25)23-18(29-14)15-5-8-24(9-6-15)20(26)16-4-3-7-22-19(16)30-2/h3-4,7,15H,5-6,8-13H2,1-2H3.
What are the key properties of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 430.53 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 53168408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).