2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole

C23H32N4O — CID 134536499

IUPAC2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole
SMILESCC(C)(C)c1cc(-c2cnc(C(C)(C)Cc3cnc(C(C)(C)C)o3)[nH]2)ccn1
InChIInChI=1S/C23H32N4O/c1-21(2,3)18-11-15(9-10-24-18)17-14-25-19(27-17)23(7,8)12-16-13-26-20(28-16)22(4,5)6/h9-11,13-14H,12H2,1-8H3,(H,25,27)
InChIKeyWZGHZBAQOWNXKP-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.57
Rot. Bonds4

About 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole

2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole (PubChem CID 134536499) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole
PubChem CID134536499
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole
SMILESCC(C)(C)c1cc(-c2cnc(C(C)(C)Cc3cnc(C(C)(C)C)o3)[nH]2)ccn1
InChIInChI=1S/C23H32N4O/c1-21(2,3)18-11-15(9-10-24-18)17-14-25-19(27-17)23(7,8)12-16-13-26-20(28-16)22(4,5)6/h9-11,13-14H,12H2,1-8H3,(H,25,27)
InChIKeyWZGHZBAQOWNXKP-UHFFFAOYSA-N
XLogP5.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole (CID 134536499) is 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole is CC(C)(C)c1cc(-c2cnc(C(C)(C)Cc3cnc(C(C)(C)C)o3)[nH]2)ccn1.
What is the InChIKey of 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole?
The InChIKey is WZGHZBAQOWNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-21(2,3)18-11-15(9-10-24-18)17-14-25-19(27-17)23(7,8)12-16-13-26-20(28-16)22(4,5)6/h9-11,13-14H,12H2,1-8H3,(H,25,27).
What are the key properties of 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole?
2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole has a molecular weight of 380.54 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-[5-(2-tert-butyl-4-pyridinyl)-1H-imidazol-2-yl]-2-methylpropyl]-1,3-oxazole is sourced from PubChem (CID 134536499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).