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

C21H21N5O2 — CID 122181818

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)no1
InChIInChI=1S/C21H21N5O2/c1-21(2,3)17-12-18(25-28-17)24-20(27)22-15-9-7-14(8-10-15)16-13-26-11-5-4-6-19(26)23-16/h4-13H,1-3H3,(H2,22,24,25,27)
InChIKeyLXUTZJRSRMFOBA-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.93
Rot. Bonds3

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea (PubChem CID 122181818) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
PubChem CID122181818
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)no1
InChIInChI=1S/C21H21N5O2/c1-21(2,3)17-12-18(25-28-17)24-20(27)22-15-9-7-14(8-10-15)16-13-26-11-5-4-6-19(26)23-16/h4-13H,1-3H3,(H2,22,24,25,27)
InChIKeyLXUTZJRSRMFOBA-UHFFFAOYSA-N
XLogP4.93
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

Ofirnoflast
CID 162365111
N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122182070
1-[4-[4-Amino-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 132204259
1-[4-[4-Amino-3-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 132204268
1-[4-[4-Amino-3-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 132204394
Flt3-IN-4
CID 138454786
1-[4-(4-Amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 155511408
1-[4-[4-Amino-7-(2-cyanoethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 155511411
1-[4-[4-Amino-7-(cyanomethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 155514511
1-[4-(4-Amino-7-propylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 155515679
1-[4-[4-Amino-7-[2-(dimethylamino)ethyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 155537661

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea (CID 122181818) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?
The InChIKey is LXUTZJRSRMFOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-21(2,3)17-12-18(25-28-17)24-20(27)22-15-9-7-14(8-10-15)16-13-26-11-5-4-6-19(26)23-16/h4-13H,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]pyridin-2-ylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea has a molecular weight of 375.43 g/mol, XLogP of 4.93, 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-imidazo[1,2-a]pyridin-2-ylphenyl)urea is sourced from PubChem (CID 122181818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).