bis(4,5-dihydro-1,3-oxazole);1H-imidazole

C9H14N4O2 — CID 175045233

IUPACbis(4,5-dihydro-1,3-oxazole);1H-imidazole
SMILESC1=NCCO1.C1=NCCO1.c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C3H5NO/c3*1-2-5-3-4-1/h1-3H,(H,4,5);2*3H,1-2H2
InChIKeyGXVGEPGQWCVDLQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.50
Rot. Bonds

About bis(4,5-dihydro-1,3-oxazole);1H-imidazole

bis(4,5-dihydro-1,3-oxazole);1H-imidazole (PubChem CID 175045233) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazole);1H-imidazole.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazole);1H-imidazole
PubChem CID175045233
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namebis(4,5-dihydro-1,3-oxazole);1H-imidazole
SMILESC1=NCCO1.C1=NCCO1.c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C3H5NO/c3*1-2-5-3-4-1/h1-3H,(H,4,5);2*3H,1-2H2
InChIKeyGXVGEPGQWCVDLQ-UHFFFAOYSA-N
XLogP0.50
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazole);1H-imidazole?
The IUPAC name of bis(4,5-dihydro-1,3-oxazole);1H-imidazole (CID 175045233) is bis(4,5-dihydro-1,3-oxazole);1H-imidazole.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazole);1H-imidazole?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazole);1H-imidazole is C1=NCCO1.C1=NCCO1.c1c[nH]cn1.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazole);1H-imidazole?
The InChIKey is GXVGEPGQWCVDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H5NO/c3*1-2-5-3-4-1/h1-3H,(H,4,5);2*3H,1-2H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazole);1H-imidazole?
bis(4,5-dihydro-1,3-oxazole);1H-imidazole has a molecular weight of 210.24 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazole);1H-imidazole is sourced from PubChem (CID 175045233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).