2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole

C11H11N5O — CID 68630958

IUPAC2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole
SMILESCn1ccnc1Cn1ccnc1-c1ncco1
InChIInChI=1S/C11H11N5O/c1-15-5-2-12-9(15)8-16-6-3-13-10(16)11-14-4-7-17-11/h2-7H,8H2,1H3
InChIKeyZBOCXJRVNQGQHO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.32
Rot. Bonds3

About 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole

2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole (PubChem CID 68630958) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole
PubChem CID68630958
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole
SMILESCn1ccnc1Cn1ccnc1-c1ncco1
InChIInChI=1S/C11H11N5O/c1-15-5-2-12-9(15)8-16-6-3-13-10(16)11-14-4-7-17-11/h2-7H,8H2,1H3
InChIKeyZBOCXJRVNQGQHO-UHFFFAOYSA-N
XLogP1.32
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Imidazo[5,1-b]oxazole
CID 21876709
Imidazo[5,1-b][1,3]oxazole-5,7-diamine
CID 21107704
2-Imidazol-1-yl-1,3-oxazole
CID 21418737
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 89185722
2-(1-Methylimidazol-2-yl)-1,3-oxazole
CID 91564906
5-Methylimidazo[5,1-b][1,3]oxazol-7-amine
CID 96637531
3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylimidazol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium
CID 141647704
1-Methylimidazole;1,3-oxazole
CID 142355715
2-(2-Methylimidazol-1-yl)-1,3-oxazole
CID 142655447
Ethane;imidazo[2,1-b][1,3]oxazole
CID 144544113
1-Ethenylimidazole;2-ethenyl-1,3-oxazole
CID 146294642
1,2-Dimethylimidazole;2-methyl-1,3-oxazole
CID 159130346

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole (CID 68630958) is 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole is Cn1ccnc1Cn1ccnc1-c1ncco1.
What is the InChIKey of 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole?
The InChIKey is ZBOCXJRVNQGQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-15-5-2-12-9(15)8-16-6-3-13-10(16)11-14-4-7-17-11/h2-7H,8H2,1H3.
What are the key properties of 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole?
2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole has a molecular weight of 229.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 68630958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).