1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C21H20FN5O2 — CID 122182075

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(F)ccc4n3)cc2)no1
InChIInChI=1S/C21H20FN5O2/c1-21(2,3)17-10-18(26-29-17)25-20(28)23-15-7-4-13(5-8-15)16-12-27-11-14(22)6-9-19(27)24-16/h4-12H,1-3H3,(H2,23,25,26,28)
InChIKeyOGBPGJGBGVRAKR-UHFFFAOYSA-N
MW393.42 g/mol
LogP5.07
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 122182075) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID122182075
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(F)ccc4n3)cc2)no1
InChIInChI=1S/C21H20FN5O2/c1-21(2,3)17-10-18(26-29-17)25-20(28)23-15-7-4-13(5-8-15)16-12-27-11-14(22)6-9-19(27)24-16/h4-12H,1-3H3,(H2,23,25,26,28)
InChIKeyOGBPGJGBGVRAKR-UHFFFAOYSA-N
XLogP5.07
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 122182075) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(F)ccc4n3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is OGBPGJGBGVRAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-21(2,3)17-10-18(26-29-17)25-20(28)23-15-7-4-13(5-8-15)16-12-27-11-14(22)6-9-19(27)24-16/h4-12H,1-3H3,(H2,23,25,26,28).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 393.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 122182075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).