3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one

C19H30N4O3 — CID 74225526

IUPAC3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)c2cc(C)nn2C(C)(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-6-14-12-26-18(25)22(14)15-7-9-21(10-8-15)17(24)16-11-13(2)20-23(16)19(3,4)5/h11,14-15H,6-10,12H2,1-5H3
InChIKeyOWMYIZIUMGBYCK-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.78
Rot. Bonds3

About 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one

3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 74225526) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID74225526
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)c2cc(C)nn2C(C)(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-6-14-12-26-18(25)22(14)15-7-9-21(10-8-15)17(24)16-11-13(2)20-23(16)19(3,4)5/h11,14-15H,6-10,12H2,1-5H3
InChIKeyOWMYIZIUMGBYCK-UHFFFAOYSA-N
XLogP2.78
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23819407
3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-5-chloro-1,3-benzoxazol-2-one
CID 92760991
(4R)-4-ethyl-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 118303313
4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23993543
ethyl 4-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate
CID 3861830
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 5158542
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23939940
(4R)-3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 23909948
3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156715
4-ethyl-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3510277
ethyl 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3805310

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 74225526) is 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one is CCC1COC(=O)N1C1CCN(C(=O)c2cc(C)nn2C(C)(C)C)CC1.
What is the InChIKey of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is OWMYIZIUMGBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-6-14-12-26-18(25)22(14)15-7-9-21(10-8-15)17(24)16-11-13(2)20-23(16)19(3,4)5/h11,14-15H,6-10,12H2,1-5H3.
What are the key properties of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 74225526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).