methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate

C21H20N4O3 — CID 121418858

IUPACmethyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)c1
InChIInChI=1S/C21H20N4O3/c1-12-19(13(2)28-24-12)17-9-18-20(22-10-17)23-14(3)25(18)11-15-6-5-7-16(8-15)21(26)27-4/h5-10H,11H2,1-4H3
InChIKeyMLOMHXKTXQZRHN-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.85
Rot. Bonds4

About methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate

methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate (PubChem CID 121418858) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
PubChem CID121418858
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)c1
InChIInChI=1S/C21H20N4O3/c1-12-19(13(2)28-24-12)17-9-18-20(22-10-17)23-14(3)25(18)11-15-6-5-7-16(8-15)21(26)27-4/h5-10H,11H2,1-4H3
InChIKeyMLOMHXKTXQZRHN-UHFFFAOYSA-N
XLogP3.85
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate with MolForge

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Related Compounds

lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
CID 159553569
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]phenol
CID 87056287
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
CID 121375953
1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
7-amino-3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzoxazol-2-one;3,5-dimethyl-4-[2-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
CID 161477240
methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate
CID 118196395
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 121375942
2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide
CID 177247494
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
CID 158643062

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate (CID 121418858) is methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate is COC(=O)c1cccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)c1.
What is the InChIKey of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate?
The InChIKey is MLOMHXKTXQZRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-19(13(2)28-24-12)17-9-18-20(22-10-17)23-14(3)25(18)11-15-6-5-7-16(8-15)21(26)27-4/h5-10H,11H2,1-4H3.
What are the key properties of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate?
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate is sourced from PubChem (CID 121418858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).