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

C9H16N4O3 — CID 91917577

IUPAC1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCOCCNC(=O)NCCc1noc(C)n1
InChIInChI=1S/C9H16N4O3/c1-7-12-8(13-16-7)3-4-10-9(14)11-5-6-15-2/h3-6H2,1-2H3,(H2,10,11,14)
InChIKeyVSAFMXAFDVVCTC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.13
Rot. Bonds6

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

1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 91917577) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID91917577
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCOCCNC(=O)NCCc1noc(C)n1
InChIInChI=1S/C9H16N4O3/c1-7-12-8(13-16-7)3-4-10-9(14)11-5-6-15-2/h3-6H2,1-2H3,(H2,10,11,14)
InChIKeyVSAFMXAFDVVCTC-UHFFFAOYSA-N
XLogP-0.13
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.13
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-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 91917577) is 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is COCCNC(=O)NCCc1noc(C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is VSAFMXAFDVVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7-12-8(13-16-7)3-4-10-9(14)11-5-6-15-2/h3-6H2,1-2H3,(H2,10,11,14).
What are the key properties of 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 228.25 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 91917577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).