3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole

C13H14N4O2 — CID 56862007

IUPAC3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2Cc2cc(C)no2)on1
InChIInChI=1S/C13H14N4O2/c1-3-10-7-12(19-16-10)13-14-4-5-17(13)8-11-6-9(2)15-18-11/h4-7H,3,8H2,1-2H3
InChIKeyFHINEFQMOGTVER-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.45
Rot. Bonds4

About 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole

3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole (PubChem CID 56862007) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole
PubChem CID56862007
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2Cc2cc(C)no2)on1
InChIInChI=1S/C13H14N4O2/c1-3-10-7-12(19-16-10)13-14-4-5-17(13)8-11-6-9(2)15-18-11/h4-7H,3,8H2,1-2H3
InChIKeyFHINEFQMOGTVER-UHFFFAOYSA-N
XLogP2.45
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-3-isoxazolecarboxamide
CID 70777484
3-[[2-(1-Ethoxyethyl)imidazol-1-yl]methyl]-5-methyl-1,2-oxazole
CID 84592408
5'-methyl-1-[(3-methylisoxazol-5-yl)methyl]-1H,3'H-2,4'-biimidazole
CID 56861276
2-ethyl-4-{1-[(3-ethylisoxazol-5-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56861858
N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-propyl-3-isoxazolecarboxamide
CID 70755061
1-[(3-ethylisoxazol-5-yl)carbonyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72935352
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(3-methylisoxazol-5-yl)methyl]cyclopropanamine
CID 77087731
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 132302947
N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-imidazol-2-yl)ethanamine
CID 132416955
3-[[1-(2,2-Difluorocyclohexyl)imidazol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 175105730
5-Methyl-3-(1-methyl-1H-imidazol-2-yl)isoxazole
CID 6422442
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 60417762

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole (CID 56862007) is 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole is CCc1cc(-c2nccn2Cc2cc(C)no2)on1.
What is the InChIKey of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
The InChIKey is FHINEFQMOGTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-10-7-12(19-16-10)13-14-4-5-17(13)8-11-6-9(2)15-18-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole has a molecular weight of 258.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 56862007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).