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

C26H32N4O3S — CID 55478811

IUPAC[4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
SMILESCc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)no1
InChIInChI=1S/C26H32N4O3S/c1-17-9-21(28-33-17)16-34-23-22(3-2-4-27-23)24(31)29-5-7-30(8-6-29)25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-4,9,18-20H,5-8,10-16H2,1H3
InChIKeyFPUGZGWUJICENU-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.17
Rot. Bonds5

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

[4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone (PubChem CID 55478811) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
PubChem CID55478811
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name[4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
SMILESCc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)no1
InChIInChI=1S/C26H32N4O3S/c1-17-9-21(28-33-17)16-34-23-22(3-2-4-27-23)24(31)29-5-7-30(8-6-29)25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-4,9,18-20H,5-8,10-16H2,1H3
InChIKeyFPUGZGWUJICENU-UHFFFAOYSA-N
XLogP4.17
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]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
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 119412076
[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 35349967
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 9489969
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 34563641
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 29326752
N-butyl-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 55862307
N-(2-ethylcyclopropyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 56790893
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 46675600
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 78811351
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 9463227

Frequently Asked Questions

What is the IUPAC name of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
The IUPAC name of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone (CID 55478811) is [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone.
What is the SMILES notation for [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
The canonical SMILES for [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone is Cc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)no1.
What is the InChIKey of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
The InChIKey is FPUGZGWUJICENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-17-9-21(28-33-17)16-34-23-22(3-2-4-27-23)24(31)29-5-7-30(8-6-29)25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-4,9,18-20H,5-8,10-16H2,1H3.
What are the key properties of [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone has a molecular weight of 480.63 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone is sourced from PubChem (CID 55478811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).