1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea

C20H20N6O2 — CID 122181820

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccncc4n3)cc2)no1
InChIInChI=1S/C20H20N6O2/c1-20(2,3)16-10-17(25-28-16)24-19(27)22-14-6-4-13(5-7-14)15-12-26-9-8-21-11-18(26)23-15/h4-12H,1-3H3,(H2,22,24,25,27)
InChIKeyNJNVCFCJMMUTNF-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.33
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea (PubChem CID 122181820) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea
PubChem CID122181820
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccncc4n3)cc2)no1
InChIInChI=1S/C20H20N6O2/c1-20(2,3)16-10-17(25-28-16)24-19(27)22-14-6-4-13(5-7-14)15-12-26-9-8-21-11-18(26)23-15/h4-12H,1-3H3,(H2,22,24,25,27)
InChIKeyNJNVCFCJMMUTNF-UHFFFAOYSA-N
XLogP4.33
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea (CID 122181820) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccncc4n3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea?
The InChIKey is NJNVCFCJMMUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-20(2,3)16-10-17(25-28-16)24-19(27)22-14-6-4-13(5-7-14)15-12-26-9-8-21-11-18(26)23-15/h4-12H,1-3H3,(H2,22,24,25,27).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea has a molecular weight of 376.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea is sourced from PubChem (CID 122181820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).