1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C22H24N4O2 — CID 108812787

IUPAC1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(24-21-15-20(28-25-21)18-9-5-2-6-10-18)23-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H2,23,24,25,27)
InChIKeyXPRCJHYJZNCQNI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.13
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812787) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812787
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(24-21-15-20(28-25-21)18-9-5-2-6-10-18)23-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H2,23,24,25,27)
InChIKeyXPRCJHYJZNCQNI-UHFFFAOYSA-N
XLogP4.13
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea
CID 56793006
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812787) is 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(Nc1cc(-c2ccccc2)on1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is XPRCJHYJZNCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(24-21-15-20(28-25-21)18-9-5-2-6-10-18)23-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H2,23,24,25,27).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 376.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).