1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C13H20N4O2 — CID 18144085

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(C3CC3)CC2)no1
InChIInChI=1S/C13H20N4O2/c1-9-8-12(16-19-9)15-13(18)14-10-4-6-17(7-5-10)11-2-3-11/h8,10-11H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyZPFAYDOLIYYWSX-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.73
Rot. Bonds3

About 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 18144085) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID18144085
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(C3CC3)CC2)no1
InChIInChI=1S/C13H20N4O2/c1-9-8-12(16-19-9)15-13(18)14-10-4-6-17(7-5-10)11-2-3-11/h8,10-11H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyZPFAYDOLIYYWSX-UHFFFAOYSA-N
XLogP1.73
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 49470876
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108915468
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
cis-methyl (1R,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]cycloheptane-1-carboxylate
CID 96540969

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 18144085) is 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)no1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is ZPFAYDOLIYYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-8-12(16-19-9)15-13(18)14-10-4-6-17(7-5-10)11-2-3-11/h8,10-11H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 18144085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).