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

C11H18N4O4S — CID 24657976

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)no1
InChIInChI=1S/C11H18N4O4S/c1-8-7-10(14-19-8)13-11(16)12-9-3-5-15(6-4-9)20(2,17)18/h7,9H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyBJHKZVXSASLNNU-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.53
Rot. Bonds3

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

1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 24657976) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID24657976
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)no1
InChIInChI=1S/C11H18N4O4S/c1-8-7-10(14-19-8)13-11(16)12-9-3-5-15(6-4-9)20(2,17)18/h7,9H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyBJHKZVXSASLNNU-UHFFFAOYSA-N
XLogP0.53
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18144085
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 49470876
1-[6-(methylamino)-3-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 53498208
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 72865261
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
CID 118566531
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24664745
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47032176

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 24657976) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea is Cc1cc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is BJHKZVXSASLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-8-7-10(14-19-8)13-11(16)12-9-3-5-15(6-4-9)20(2,17)18/h7,9H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 302.36 g/mol, XLogP of 0.53, 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-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 24657976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).