cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone

C21H26N4O3S — CID 56511502

IUPACcyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H26N4O3S/c1-14-18(15(2)28-23-14)13-29-19-17(7-4-8-22-19)21(27)25-11-9-24(10-12-25)20(26)16-5-3-6-16/h4,7-8,16H,3,5-6,9-13H2,1-2H3
InChIKeyDPJCJQSKLLUWJO-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.06
Rot. Bonds5

About cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 56511502) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID56511502
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Namecyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H26N4O3S/c1-14-18(15(2)28-23-14)13-29-19-17(7-4-8-22-19)21(27)25-11-9-24(10-12-25)20(26)16-5-3-6-16/h4,7-8,16H,3,5-6,9-13H2,1-2H3
InChIKeyDPJCJQSKLLUWJO-UHFFFAOYSA-N
XLogP3.06
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 56512652
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 51191560
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 34676458
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519323
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 55374163
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38603197
cyclohexyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 78802072
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42951736
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
CID 55723994
(4-aminopiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 119375601
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-(pyridine-3-carbonyl)pyridine-3-carbohydrazide
CID 46529148
N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46546109

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone (CID 56511502) is cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone is Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is DPJCJQSKLLUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-14-18(15(2)28-23-14)13-29-19-17(7-4-8-22-19)21(27)25-11-9-24(10-12-25)20(26)16-5-3-6-16/h4,7-8,16H,3,5-6,9-13H2,1-2H3.
What are the key properties of cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 414.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56511502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).