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

C21H26N4O3S — CID 53168359

IUPAC[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C21H26N4O3S/c1-14-17(21(27)24-10-3-4-11-24)23-18(28-14)15-7-12-25(13-8-15)20(26)16-6-5-9-22-19(16)29-2/h5-6,9,15H,3-4,7-8,10-13H2,1-2H3
InChIKeyDXNWLDXSQUQEOP-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.36
Rot. Bonds4

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

[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 53168359) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID53168359
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C21H26N4O3S/c1-14-17(21(27)24-10-3-4-11-24)23-18(28-14)15-7-12-25(13-8-15)20(26)16-6-5-9-22-19(16)29-2/h5-6,9,15H,3-4,7-8,10-13H2,1-2H3
InChIKeyDXNWLDXSQUQEOP-UHFFFAOYSA-N
XLogP3.36
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-methyl-4-(pyrrolidine-1-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
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
{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
4-{5-Methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carbonyl}thiomorpholine
CID 53168430
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47896295
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

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (CID 53168359) is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1.
What is the InChIKey of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is DXNWLDXSQUQEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-14-17(21(27)24-10-3-4-11-24)23-18(28-14)15-7-12-25(13-8-15)20(26)16-6-5-9-22-19(16)29-2/h5-6,9,15H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 414.53 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 53168359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).