3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole

C19H22N6O — CID 50968995

IUPAC3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(Cn2cnc(-c3ccccc3)c2-c2ncnn2CC)C1
InChIInChI=1S/C19H22N6O/c1-3-15-10-16(26-23-15)11-24-13-21-17(14-8-6-5-7-9-14)18(24)19-20-12-22-25(19)4-2/h5-9,12-13,16H,3-4,10-11H2,1-2H3
InChIKeyAQGSMXSYEHJZHZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.38
Rot. Bonds6

About 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole

3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 50968995) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
PubChem CID50968995
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(Cn2cnc(-c3ccccc3)c2-c2ncnn2CC)C1
InChIInChI=1S/C19H22N6O/c1-3-15-10-16(26-23-15)11-24-13-21-17(14-8-6-5-7-9-14)18(24)19-20-12-22-25(19)4-2/h5-9,12-13,16H,3-4,10-11H2,1-2H3
InChIKeyAQGSMXSYEHJZHZ-UHFFFAOYSA-N
XLogP3.38
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole (CID 50968995) is 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole is CCC1=NOC(Cn2cnc(-c3ccccc3)c2-c2ncnn2CC)C1.
What is the InChIKey of 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is AQGSMXSYEHJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-15-10-16(26-23-15)11-24-13-21-17(14-8-6-5-7-9-14)18(24)19-20-12-22-25(19)4-2/h5-9,12-13,16H,3-4,10-11H2,1-2H3.
What are the key properties of 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 350.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 50968995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).