1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole

C13H20N4O2 — CID 159424034

IUPAC1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole
SMILESCC1=NCCO1.Cc1nccn1C.Cc1ncco1
InChIInChI=1S/C5H8N2.C4H7NO.C4H5NO/c1-5-6-3-4-7(5)2;2*1-4-5-2-3-6-4/h3-4H,1-2H3;2-3H2,1H3;2-3H,1H3
InChIKeyLQCSTQJTXIGEOY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.15
Rot. Bonds

About 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole

1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole (PubChem CID 159424034) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole.

Molecular Properties

Compound Name1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole
PubChem CID159424034
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole
SMILESCC1=NCCO1.Cc1nccn1C.Cc1ncco1
InChIInChI=1S/C5H8N2.C4H7NO.C4H5NO/c1-5-6-3-4-7(5)2;2*1-4-5-2-3-6-4/h3-4H,1-2H3;2-3H2,1H3;2-3H,1H3
InChIKeyLQCSTQJTXIGEOY-UHFFFAOYSA-N
XLogP2.15
TPSA65.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole?
The IUPAC name of 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole (CID 159424034) is 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole.
What is the SMILES notation for 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole?
The canonical SMILES for 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole is CC1=NCCO1.Cc1nccn1C.Cc1ncco1.
What is the InChIKey of 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole?
The InChIKey is LQCSTQJTXIGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H7NO.C4H5NO/c1-5-6-3-4-7(5)2;2*1-4-5-2-3-6-4/h3-4H,1-2H3;2-3H2,1H3;2-3H,1H3.
What are the key properties of 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole?
1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole has a molecular weight of 264.33 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;2-methyl-4,5-dihydro-1,3-oxazole;2-methyl-1,3-oxazole is sourced from PubChem (CID 159424034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).