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

C15H26N4O3 — CID 71976511

IUPAC1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCCOC(C)c1noc(CNC(=O)NC2CCCC2(C)C)n1
InChIInChI=1S/C15H26N4O3/c1-5-21-10(2)13-18-12(22-19-13)9-16-14(20)17-11-7-6-8-15(11,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17,20)
InChIKeyVPKRKXJEDXEZAC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.55
Rot. Bonds6

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

1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 71976511) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID71976511
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCCOC(C)c1noc(CNC(=O)NC2CCCC2(C)C)n1
InChIInChI=1S/C15H26N4O3/c1-5-21-10(2)13-18-12(22-19-13)9-16-14(20)17-11-7-6-8-15(11,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17,20)
InChIKeyVPKRKXJEDXEZAC-UHFFFAOYSA-N
XLogP2.55
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 71976511) is 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea is CCOC(C)c1noc(CNC(=O)NC2CCCC2(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is VPKRKXJEDXEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-5-21-10(2)13-18-12(22-19-13)9-16-14(20)17-11-7-6-8-15(11,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 71976511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).