3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole

C12H13N3O — CID 143245837

IUPAC3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole
SMILESC=C/C=C\c1nc(-c2cc(C)on2)[nH]c1C
InChIInChI=1S/C12H13N3O/c1-4-5-6-10-9(3)13-12(14-10)11-7-8(2)16-15-11/h4-7H,1H2,2-3H3,(H,13,14)/b6-5-
InChIKeyGBRPLISCPSYMHI-WAYWQWQTSA-N
MW215.26 g/mol
LogP2.88
Rot. Bonds3

About 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole

3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 143245837) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole
PubChem CID143245837
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole
SMILESC=C/C=C\c1nc(-c2cc(C)on2)[nH]c1C
InChIInChI=1S/C12H13N3O/c1-4-5-6-10-9(3)13-12(14-10)11-7-8(2)16-15-11/h4-7H,1H2,2-3H3,(H,13,14)/b6-5-
InChIKeyGBRPLISCPSYMHI-WAYWQWQTSA-N
XLogP2.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 145036373
3-[5-[3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine;ethane
CID 145036570
4-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136795513
3-but-3-enyl-5-methyl-1,2-oxazole
CID 15073752
5-[(1E)-buta-1,3-dienyl]-3-(4-fluorophenyl)-1,2-oxazole
CID 101268733
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
3-isocyano-5-methyl-1,2-oxazole
CID 83478513
4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazole
CID 156716797
4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 842950
2-buta-1,3-dienyl-4,6-dimethylpyridine
CID 54534076
4-(chloromethyl)-5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole
CID 146272852
3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole
CID 136960291

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole (CID 143245837) is 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole is C=C/C=C\c1nc(-c2cc(C)on2)[nH]c1C.
What is the InChIKey of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is GBRPLISCPSYMHI-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H13N3O/c1-4-5-6-10-9(3)13-12(14-10)11-7-8(2)16-15-11/h4-7H,1H2,2-3H3,(H,13,14)/b6-5-.
What are the key properties of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole?
3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 215.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 143245837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).