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

C12H20N4O2 — CID 91907143

IUPAC1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC2CCCCC2)no1
InChIInChI=1S/C12H20N4O2/c1-9-14-11(16-18-9)7-8-13-12(17)15-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,15,17)
InChIKeyHXKIOQWSMIETAJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.55
Rot. Bonds4

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

1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 91907143) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID91907143
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC2CCCCC2)no1
InChIInChI=1S/C12H20N4O2/c1-9-14-11(16-18-9)7-8-13-12(17)15-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,15,17)
InChIKeyHXKIOQWSMIETAJ-UHFFFAOYSA-N
XLogP1.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 91907143) is 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is Cc1nc(CCNC(=O)NC2CCCCC2)no1.
What is the InChIKey of 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is HXKIOQWSMIETAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-14-11(16-18-9)7-8-13-12(17)15-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,15,17).
What are the key properties of 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 252.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 91907143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).