4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C16H24N4O3 — CID 4686292

IUPAC4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C16H24N4O3/c1-11(2)7-14-10-23-16(22)20(14)13-3-5-19(6-4-13)15(21)12-8-17-18-9-12/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyZVRNUZNFZQNZGJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.88
Rot. Bonds4

About 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 4686292) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID4686292
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C16H24N4O3/c1-11(2)7-14-10-23-16(22)20(14)13-3-5-19(6-4-13)15(21)12-8-17-18-9-12/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyZVRNUZNFZQNZGJ-UHFFFAOYSA-N
XLogP1.88
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 4686292) is 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CC(C)CC1COC(=O)N1C1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZVRNUZNFZQNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)7-14-10-23-16(22)20(14)13-3-5-19(6-4-13)15(21)12-8-17-18-9-12/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4686292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).