3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C12H20N4O2 — CID 75453187

IUPAC3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)NC2CCCCC2)no1
InChIInChI=1S/C12H20N4O2/c1-9-13-11(15-18-9)8-16(2)12(17)14-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,14,17)
InChIKeyLIJCILZZDOZVDK-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.85
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 75453187) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID75453187
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)NC2CCCCC2)no1
InChIInChI=1S/C12H20N4O2/c1-9-13-11(15-18-9)8-16(2)12(17)14-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,14,17)
InChIKeyLIJCILZZDOZVDK-UHFFFAOYSA-N
XLogP1.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 75453187) is 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CN(C)C(=O)NC2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is LIJCILZZDOZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-13-11(15-18-9)8-16(2)12(17)14-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 252.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 75453187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).