3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one

C17H28N4O2 — CID 86788885

IUPAC3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)Cc1cn(C)nc1C1CCCCC1
InChIInChI=1S/C17H28N4O2/c1-19(8-9-21-10-11-23-17(21)22)12-15-13-20(2)18-16(15)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyJEJAXQWJCCEVBA-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.35
Rot. Bonds6

About 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one

3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 86788885) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
PubChem CID86788885
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)Cc1cn(C)nc1C1CCCCC1
InChIInChI=1S/C17H28N4O2/c1-19(8-9-21-10-11-23-17(21)22)12-15-13-20(2)18-16(15)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyJEJAXQWJCCEVBA-UHFFFAOYSA-N
XLogP2.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one (CID 86788885) is 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one is CN(CCN1CCOC1=O)Cc1cn(C)nc1C1CCCCC1.
What is the InChIKey of 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is JEJAXQWJCCEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19(8-9-21-10-11-23-17(21)22)12-15-13-20(2)18-16(15)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86788885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).