2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone

C11H12N4O2 — CID 163675809

IUPAC2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(C(=O)C/N=C/c2nccn2C)no1
InChIInChI=1S/C11H12N4O2/c1-8-5-9(14-17-8)10(16)6-12-7-11-13-3-4-15(11)2/h3-5,7H,6H2,1-2H3/b12-7+
InChIKeyJGOZYQOISXTQGR-KPKJPENVSA-N
MW232.24 g/mol
LogP1.02
Rot. Bonds4

About 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone

2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 163675809) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID163675809
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(C(=O)C/N=C/c2nccn2C)no1
InChIInChI=1S/C11H12N4O2/c1-8-5-9(14-17-8)10(16)6-12-7-11-13-3-4-15(11)2/h3-5,7H,6H2,1-2H3/b12-7+
InChIKeyJGOZYQOISXTQGR-KPKJPENVSA-N
XLogP1.02
TPSA73.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
CID 101458660
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
CID 161184426
3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide
CID 162738420
(E)-1-hydroxy-4-(1-methylimidazol-2-yl)but-3-en-2-one
CID 134316804
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905
dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate
CID 139168798
(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
CID 59340385
3-chloro-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide
CID 162738335
N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline
CID 138494759

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 163675809) is 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone is Cc1cc(C(=O)C/N=C/c2nccn2C)no1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is JGOZYQOISXTQGR-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-5-9(14-17-8)10(16)6-12-7-11-13-3-4-15(11)2/h3-5,7H,6H2,1-2H3/b12-7+.
What are the key properties of 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone?
2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 232.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 163675809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).