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

C23H21N5O2 — CID 122182071

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESC#Cc1ccn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2c1
InChIInChI=1S/C23H21N5O2/c1-5-15-10-11-28-14-18(25-21(28)12-15)16-6-8-17(9-7-16)24-22(29)26-20-13-19(30-27-20)23(2,3)4/h1,6-14H,2-4H3,(H2,24,26,27,29)
InChIKeyIAXKUVADJMIUSK-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.91
Rot. Bonds3

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 122182071) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID122182071
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESC#Cc1ccn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2c1
InChIInChI=1S/C23H21N5O2/c1-5-15-10-11-28-14-18(25-21(28)12-15)16-6-8-17(9-7-16)24-22(29)26-20-13-19(30-27-20)23(2,3)4/h1,6-14H,2-4H3,(H2,24,26,27,29)
InChIKeyIAXKUVADJMIUSK-UHFFFAOYSA-N
XLogP4.91
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 122182071) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[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-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is C#Cc1ccn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2c1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is IAXKUVADJMIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-5-15-10-11-28-14-18(25-21(28)12-15)16-6-8-17(9-7-16)24-22(29)26-20-13-19(30-27-20)23(2,3)4/h1,6-14H,2-4H3,(H2,24,26,27,29).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 399.45 g/mol, XLogP of 4.91, 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-(7-ethynylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 122182071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).