5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one

C17H25N3O2 — CID 134441239

IUPAC5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one
SMILESO=c1cc(C2CCCCC(Cn3ccnc3)CCCC2)o[nH]1
InChIInChI=1S/C17H25N3O2/c21-17-11-16(22-19-17)15-7-3-1-5-14(6-2-4-8-15)12-20-10-9-18-13-20/h9-11,13-15H,1-8,12H2,(H,19,21)
InChIKeyCHUXAXJNKLHJIV-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.70
Rot. Bonds3

About 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one

5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one (PubChem CID 134441239) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one
PubChem CID134441239
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one
SMILESO=c1cc(C2CCCCC(Cn3ccnc3)CCCC2)o[nH]1
InChIInChI=1S/C17H25N3O2/c21-17-11-16(22-19-17)15-7-3-1-5-14(6-2-4-8-15)12-20-10-9-18-13-20/h9-11,13-15H,1-8,12H2,(H,19,21)
InChIKeyCHUXAXJNKLHJIV-UHFFFAOYSA-N
XLogP3.70
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one (CID 134441239) is 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one is O=c1cc(C2CCCCC(Cn3ccnc3)CCCC2)o[nH]1.
What is the InChIKey of 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one?
The InChIKey is CHUXAXJNKLHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17-11-16(22-19-17)15-7-3-1-5-14(6-2-4-8-15)12-20-10-9-18-13-20/h9-11,13-15H,1-8,12H2,(H,19,21).
What are the key properties of 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one?
5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one has a molecular weight of 303.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one is sourced from PubChem (CID 134441239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).