1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea

C19H32N4O2 — CID 71922142

IUPAC1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea
SMILESCc1nc(CN2CCC(CNC(=O)NCCC3CCC3)CC2)oc1C
InChIInChI=1S/C19H32N4O2/c1-14-15(2)25-18(22-14)13-23-10-7-17(8-11-23)12-21-19(24)20-9-6-16-4-3-5-16/h16-17H,3-13H2,1-2H3,(H2,20,21,24)
InChIKeyFDVOBINARPZBFM-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.99
Rot. Bonds7

About 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea

1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 71922142) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea
PubChem CID71922142
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea
SMILESCc1nc(CN2CCC(CNC(=O)NCCC3CCC3)CC2)oc1C
InChIInChI=1S/C19H32N4O2/c1-14-15(2)25-18(22-14)13-23-10-7-17(8-11-23)12-21-19(24)20-9-6-16-4-3-5-16/h16-17H,3-13H2,1-2H3,(H2,20,21,24)
InChIKeyFDVOBINARPZBFM-UHFFFAOYSA-N
XLogP2.99
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea (CID 71922142) is 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea is Cc1nc(CN2CCC(CNC(=O)NCCC3CCC3)CC2)oc1C.
What is the InChIKey of 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is FDVOBINARPZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-15(2)25-18(22-14)13-23-10-7-17(8-11-23)12-21-19(24)20-9-6-16-4-3-5-16/h16-17H,3-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea?
1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 348.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 71922142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).