1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea

C12H20N4O2 — CID 52887488

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1noc(C)c1NC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H20N4O2/c1-8-11(9(2)18-15-8)14-12(17)13-10-4-6-16(3)7-5-10/h10H,4-7H2,1-3H3,(H2,13,14,17)
InChIKeyZKQXFIVSSXJAJC-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.51
Rot. Bonds2

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 52887488) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID52887488
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1noc(C)c1NC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H20N4O2/c1-8-11(9(2)18-15-8)14-12(17)13-10-4-6-16(3)7-5-10/h10H,4-7H2,1-3H3,(H2,13,14,17)
InChIKeyZKQXFIVSSXJAJC-UHFFFAOYSA-N
XLogP1.51
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea (CID 52887488) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea is Cc1noc(C)c1NC(=O)NC1CCN(C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is ZKQXFIVSSXJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-11(9(2)18-15-8)14-12(17)13-10-4-6-16(3)7-5-10/h10H,4-7H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 252.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 52887488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).