1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C24H19BrN6O2 — CID 167809673

IUPAC1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCc1cccn2cc(-c3cccc(NC(=O)NCc4nc(-c5cccc(Br)c5)no4)c3)nc12
InChIInChI=1S/C24H19BrN6O2/c1-15-5-4-10-31-14-20(28-23(15)31)16-6-3-9-19(12-16)27-24(32)26-13-21-29-22(30-33-21)17-7-2-8-18(25)11-17/h2-12,14H,13H2,1H3,(H2,26,27,32)
InChIKeyJQQWURQALNOLKK-UHFFFAOYSA-N
MW503.36 g/mol
LogP5.44
Rot. Bonds5

About 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 167809673) has the molecular formula C24H19BrN6O2 and a molecular weight of 503.36 g/mol. Its IUPAC name is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID167809673
Molecular FormulaC24H19BrN6O2
Molecular Weight503.36 g/mol
Exact Mass502.08
IUPAC Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCc1cccn2cc(-c3cccc(NC(=O)NCc4nc(-c5cccc(Br)c5)no4)c3)nc12
InChIInChI=1S/C24H19BrN6O2/c1-15-5-4-10-31-14-20(28-23(15)31)16-6-3-9-19(12-16)27-24(32)26-13-21-29-22(30-33-21)17-7-2-8-18(25)11-17/h2-12,14H,13H2,1H3,(H2,26,27,32)
InChIKeyJQQWURQALNOLKK-UHFFFAOYSA-N
XLogP5.44
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.36
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[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

Related Compounds

1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3,4-dimethylphenyl)thiourea
CID 100760795
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 122284189
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
3,4-dimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028699
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-prop-2-enylurea
CID 122151235
2-(1,3-dioxoisoindol-2-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122284265
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 122284247
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
CID 121028685
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)thiourea
CID 100760836
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(4-tert-butylbenzoyl)phenyl]thiourea
CID 100761046

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 167809673) is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.
What is the SMILES notation for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is Cc1cccn2cc(-c3cccc(NC(=O)NCc4nc(-c5cccc(Br)c5)no4)c3)nc12.
What is the InChIKey of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is JQQWURQALNOLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN6O2/c1-15-5-4-10-31-14-20(28-23(15)31)16-6-3-9-19(12-16)27-24(32)26-13-21-29-22(30-33-21)17-7-2-8-18(25)11-17/h2-12,14H,13H2,1H3,(H2,26,27,32).
What are the key properties of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 503.36 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 167809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).