1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

C21H20BrN5O2 — CID 122182069

IUPAC1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccc(Br)cc4n3)cc2)no1
InChIInChI=1S/C21H20BrN5O2/c1-21(2,3)17-11-18(26-29-17)25-20(28)23-15-6-4-13(5-7-15)16-12-27-9-8-14(22)10-19(27)24-16/h4-12H,1-3H3,(H2,23,25,26,28)
InChIKeyFHKGTAFURMVXCN-UHFFFAOYSA-N
MW454.33 g/mol
LogP5.69
Rot. Bonds3

About 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (PubChem CID 122182069) has the molecular formula C21H20BrN5O2 and a molecular weight of 454.33 g/mol. Its IUPAC name is 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
PubChem CID122182069
Molecular FormulaC21H20BrN5O2
Molecular Weight454.33 g/mol
Exact Mass453.08
IUPAC Name1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccc(Br)cc4n3)cc2)no1
InChIInChI=1S/C21H20BrN5O2/c1-21(2,3)17-11-18(26-29-17)25-20(28)23-15-6-4-13(5-7-15)16-12-27-9-8-14(22)10-19(27)24-16/h4-12H,1-3H3,(H2,23,25,26,28)
InChIKeyFHKGTAFURMVXCN-UHFFFAOYSA-N
XLogP5.69
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (CID 122182069) is 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccc(Br)cc4n3)cc2)no1.
What is the InChIKey of 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The InChIKey is FHKGTAFURMVXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2/c1-21(2,3)17-11-18(26-29-17)25-20(28)23-15-6-4-13(5-7-15)16-12-27-9-8-14(22)10-19(27)24-16/h4-12H,1-3H3,(H2,23,25,26,28).
What are the key properties of 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea has a molecular weight of 454.33 g/mol, XLogP of 5.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 122182069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).