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

C15H24N6O2 — CID 122561878

IUPAC1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCc1nc(CN(CC)C(=O)NCc2cncn2CC)no1
InChIInChI=1S/C15H24N6O2/c1-4-7-14-18-13(19-23-14)10-20(5-2)15(22)17-9-12-8-16-11-21(12)6-3/h8,11H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyVPGWJGGDAYQLGW-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.97
Rot. Bonds8

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

1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 122561878) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID122561878
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCc1nc(CN(CC)C(=O)NCc2cncn2CC)no1
InChIInChI=1S/C15H24N6O2/c1-4-7-14-18-13(19-23-14)10-20(5-2)15(22)17-9-12-8-16-11-21(12)6-3/h8,11H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyVPGWJGGDAYQLGW-UHFFFAOYSA-N
XLogP1.97
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 122561878) is 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCCc1nc(CN(CC)C(=O)NCc2cncn2CC)no1.
What is the InChIKey of 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is VPGWJGGDAYQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-4-7-14-18-13(19-23-14)10-20(5-2)15(22)17-9-12-8-16-11-21(12)6-3/h8,11H,4-7,9-10H2,1-3H3,(H,17,22).
What are the key properties of 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 320.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 122561878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).