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

C19H30N4O3 — CID 3527678

IUPAC3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3C(=O)OCC3(C)C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C19H30N4O3/c1-13-11-15(23(20-13)18(2,3)4)16(24)21-9-7-14(8-10-21)22-17(25)26-12-19(22,5)6/h11,14H,7-10,12H2,1-6H3
InChIKeyQEHJCFGINWIVAD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.78
Rot. Bonds2

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

3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 3527678) 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]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID3527678
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3C(=O)OCC3(C)C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C19H30N4O3/c1-13-11-15(23(20-13)18(2,3)4)16(24)21-9-7-14(8-10-21)22-17(25)26-12-19(22,5)6/h11,14H,7-10,12H2,1-6H3
InChIKeyQEHJCFGINWIVAD-UHFFFAOYSA-N
XLogP2.78
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 3527678) is 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is Cc1cc(C(=O)N2CCC(N3C(=O)OCC3(C)C)CC2)n(C(C)(C)C)n1.
What is the InChIKey of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is QEHJCFGINWIVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13-11-15(23(20-13)18(2,3)4)16(24)21-9-7-14(8-10-21)22-17(25)26-12-19(22,5)6/h11,14H,7-10,12H2,1-6H3.
What are the key properties of 3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.78, 2 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]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3527678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).