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

C12H13N5O — CID 56861276

IUPAC3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2nc[nH]c2C)on1
InChIInChI=1S/C12H13N5O/c1-8-5-10(18-16-8)6-17-4-3-13-12(17)11-9(2)14-7-15-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFXSXJUZUMRWYNA-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds3

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

3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 56861276) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID56861276
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2nc[nH]c2C)on1
InChIInChI=1S/C12H13N5O/c1-8-5-10(18-16-8)6-17-4-3-13-12(17)11-9(2)14-7-15-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFXSXJUZUMRWYNA-UHFFFAOYSA-N
XLogP1.93
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71856104
N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 71892864
2-ethyl-4-{1-[(3-ethylisoxazol-5-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56861858
1-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 71992470
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(3-methylisoxazol-5-yl)methyl]cyclopropanamine
CID 77087731
3-[[(2S)-2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97232393
N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-imidazol-2-yl)ethanamine
CID 132416955
5-Methyl-3-(1-methyl-1H-imidazol-2-yl)isoxazole
CID 6422442
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 61849172
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 61861561
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584344
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 128990753

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 56861276) is 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccnc2-c2nc[nH]c2C)on1.
What is the InChIKey of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is FXSXJUZUMRWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-5-10(18-16-8)6-17-4-3-13-12(17)11-9(2)14-7-15-11/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 243.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56861276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).