5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole

C21H27N5O — CID 75590123

IUPAC5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2C2CC(C)NN2)no1
InChIInChI=1S/C21H27N5O/c1-14(2)9-18-11-17(25-27-18)12-26-13-22-20(16-7-5-4-6-8-16)21(26)19-10-15(3)23-24-19/h4-8,11,13-15,19,23-24H,9-10,12H2,1-3H3
InChIKeyXKUSXCDVNSZPIC-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.71
Rot. Bonds6

About 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole

5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 75590123) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
PubChem CID75590123
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2C2CC(C)NN2)no1
InChIInChI=1S/C21H27N5O/c1-14(2)9-18-11-17(25-27-18)12-26-13-22-20(16-7-5-4-6-8-16)21(26)19-10-15(3)23-24-19/h4-8,11,13-15,19,23-24H,9-10,12H2,1-3H3
InChIKeyXKUSXCDVNSZPIC-UHFFFAOYSA-N
XLogP3.71
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole (CID 75590123) is 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole is CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2C2CC(C)NN2)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is XKUSXCDVNSZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)9-18-11-17(25-27-18)12-26-13-22-20(16-7-5-4-6-8-16)21(26)19-10-15(3)23-24-19/h4-8,11,13-15,19,23-24H,9-10,12H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole?
5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 365.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[[5-(5-methylpyrazolidin-3-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 75590123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).