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

C19H21N5O — CID 50965419

IUPAC3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1
InChIInChI=1S/C19H21N5O/c1-3-15-10-16(25-23-15)11-24-12-20-18(14-7-5-4-6-8-14)19(24)17-9-13(2)21-22-17/h4-9,12,16H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyFTPFFZQLJVYYTC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.80
Rot. Bonds5

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

3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 50965419) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
PubChem CID50965419
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1
InChIInChI=1S/C19H21N5O/c1-3-15-10-16(25-23-15)11-24-12-20-18(14-7-5-4-6-8-14)19(24)17-9-13(2)21-22-17/h4-9,12,16H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyFTPFFZQLJVYYTC-UHFFFAOYSA-N
XLogP3.80
TPSA68.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole (CID 50965419) is 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole is CCC1=NOC(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1.
What is the InChIKey of 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is FTPFFZQLJVYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-15-10-16(25-23-15)11-24-12-20-18(14-7-5-4-6-8-14)19(24)17-9-13(2)21-22-17/h4-9,12,16H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 335.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 50965419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).