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

C16H27N5O2 — CID 49470876

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)no1
InChIInChI=1S/C16H27N5O2/c1-12-11-15(19-23-12)18-16(22)17-13-3-9-21(10-4-13)14-5-7-20(2)8-6-14/h11,13-14H,3-10H2,1-2H3,(H2,17,18,19,22)
InChIKeyWKFLPMXBRMREAD-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.66
Rot. Bonds3

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

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (PubChem CID 49470876) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
PubChem CID49470876
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)no1
InChIInChI=1S/C16H27N5O2/c1-12-11-15(19-23-12)18-16(22)17-13-3-9-21(10-4-13)14-5-7-20(2)8-6-14/h11,13-14H,3-10H2,1-2H3,(H2,17,18,19,22)
InChIKeyWKFLPMXBRMREAD-UHFFFAOYSA-N
XLogP1.66
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18144085
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-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
CID 86803583
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea
CID 52887488
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 110933391
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (CID 49470876) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is Cc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The InChIKey is WKFLPMXBRMREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12-11-15(19-23-12)18-16(22)17-13-3-9-21(10-4-13)14-5-7-20(2)8-6-14/h11,13-14H,3-10H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea has a molecular weight of 321.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 49470876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).