[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C18H28N2O4 — CID 102556288

IUPAC[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C(=O)N1CC(C)CC(C)C1)C(C)C
InChIInChI=1S/C18H28N2O4/c1-10(2)16(17(21)20-8-11(3)7-12(4)9-20)23-18(22)15-13(5)19-24-14(15)6/h10-12,16H,7-9H2,1-6H3
InChIKeyZECHXXNWHWATTC-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.98
Rot. Bonds4

About [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 102556288) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID102556288
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C(=O)N1CC(C)CC(C)C1)C(C)C
InChIInChI=1S/C18H28N2O4/c1-10(2)16(17(21)20-8-11(3)7-12(4)9-20)23-18(22)15-13(5)19-24-14(15)6/h10-12,16H,7-9H2,1-6H3
InChIKeyZECHXXNWHWATTC-UHFFFAOYSA-N
XLogP2.98
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550538
3,5-Dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester
CID 2115012
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2535671
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
[1-(Methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3927260
(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522
(3,5-Dimethyl-4-isoxazolyl)(2,6-dimethylmorpholino)methanone
CID 3751691
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2560801
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4557140
[2-(1-Adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4829016

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 102556288) is [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OC(C(=O)N1CC(C)CC(C)C1)C(C)C.
What is the InChIKey of [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZECHXXNWHWATTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-10(2)16(17(21)20-8-11(3)7-12(4)9-20)23-18(22)15-13(5)19-24-14(15)6/h10-12,16H,7-9H2,1-6H3.
What are the key properties of [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 336.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 102556288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).