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

C13H22N4O3 — CID 71792013

IUPAC1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOCCNC(=O)NC1(c2nc(C)no2)CCCCC1
InChIInChI=1S/C13H22N4O3/c1-10-15-11(20-17-10)13(6-4-3-5-7-13)16-12(18)14-8-9-19-2/h3-9H2,1-2H3,(H2,14,16,18)
InChIKeyYKVCZDMKDXXXJF-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.48
Rot. Bonds5

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

1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 71792013) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
PubChem CID71792013
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOCCNC(=O)NC1(c2nc(C)no2)CCCCC1
InChIInChI=1S/C13H22N4O3/c1-10-15-11(20-17-10)13(6-4-3-5-7-13)16-12(18)14-8-9-19-2/h3-9H2,1-2H3,(H2,14,16,18)
InChIKeyYKVCZDMKDXXXJF-UHFFFAOYSA-N
XLogP1.48
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 71792013) is 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is COCCNC(=O)NC1(c2nc(C)no2)CCCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The InChIKey is YKVCZDMKDXXXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10-15-11(20-17-10)13(6-4-3-5-7-13)16-12(18)14-8-9-19-2/h3-9H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 282.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 71792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).