2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole

C21H22N4O3 — CID 50793630

IUPAC2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(COc3cc(C)c4c(C)nn(C)c4n3)c(C)o2)cc1
InChIInChI=1S/C21H22N4O3/c1-12-10-18(23-20-19(12)13(2)24-25(20)4)27-11-17-14(3)28-21(22-17)15-6-8-16(26-5)9-7-15/h6-10H,11H2,1-5H3
InChIKeyDQHDKGNYDCLNDX-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole

2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole (PubChem CID 50793630) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole
PubChem CID50793630
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(COc3cc(C)c4c(C)nn(C)c4n3)c(C)o2)cc1
InChIInChI=1S/C21H22N4O3/c1-12-10-18(23-20-19(12)13(2)24-25(20)4)27-11-17-14(3)28-21(22-17)15-6-8-16(26-5)9-7-15/h6-10H,11H2,1-5H3
InChIKeyDQHDKGNYDCLNDX-UHFFFAOYSA-N
XLogP4.14
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxymethyl]-5-methyl-1,3-oxazole
CID 50793763
4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 50793628
4-[[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxymethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 50792861
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951786
4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 54399671
[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086248
6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine
CID 169421254
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-oxazole
CID 56750354
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
2-[3-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209498

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole (CID 50793630) is 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole is COc1ccc(-c2nc(COc3cc(C)c4c(C)nn(C)c4n3)c(C)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole?
The InChIKey is DQHDKGNYDCLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-12-10-18(23-20-19(12)13(2)24-25(20)4)27-11-17-14(3)28-21(22-17)15-6-8-16(26-5)9-7-15/h6-10H,11H2,1-5H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole?
2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole has a molecular weight of 378.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole is sourced from PubChem (CID 50793630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).