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

C24H25N5O2 — CID 122182081

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(C5CC5)ccc4n3)cc2)no1
InChIInChI=1S/C24H25N5O2/c1-24(2,3)20-12-21(28-31-20)27-23(30)25-18-9-6-16(7-10-18)19-14-29-13-17(15-4-5-15)8-11-22(29)26-19/h6-15H,4-5H2,1-3H3,(H2,25,27,28,30)
InChIKeySIGQIDWAQFFEOZ-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.81
Rot. Bonds4

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 122182081) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID122182081
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(C5CC5)ccc4n3)cc2)no1
InChIInChI=1S/C24H25N5O2/c1-24(2,3)20-12-21(28-31-20)27-23(30)25-18-9-6-16(7-10-18)19-14-29-13-17(15-4-5-15)8-11-22(29)26-19/h6-15H,4-5H2,1-3H3,(H2,25,27,28,30)
InChIKeySIGQIDWAQFFEOZ-UHFFFAOYSA-N
XLogP5.81
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.81
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-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 122182081) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[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-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(C5CC5)ccc4n3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is SIGQIDWAQFFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-24(2,3)20-12-21(28-31-20)27-23(30)25-18-9-6-16(7-10-18)19-14-29-13-17(15-4-5-15)8-11-22(29)26-19/h6-15H,4-5H2,1-3H3,(H2,25,27,28,30).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 415.50 g/mol, XLogP of 5.81, 4 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-cyclopropylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 122182081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).