3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole

C20H20N4O3 — CID 121401348

IUPAC3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
SMILESCOc1ccccc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21
InChIInChI=1S/C20H20N4O3/c1-13-10-16(23-27-13)12-26-20-19-17(21-14(2)22-20)8-9-24(19)11-15-6-4-5-7-18(15)25-3/h4-10H,11-12H2,1-3H3
InChIKeyBGFPTXWWXLVLKR-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.67
Rot. Bonds6

About 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole

3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole (PubChem CID 121401348) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
PubChem CID121401348
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
SMILESCOc1ccccc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21
InChIInChI=1S/C20H20N4O3/c1-13-10-16(23-27-13)12-26-20-19-17(21-14(2)22-20)8-9-24(19)11-15-6-4-5-7-18(15)25-3/h4-10H,11-12H2,1-3H3
InChIKeyBGFPTXWWXLVLKR-UHFFFAOYSA-N
XLogP3.67
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole (CID 121401348) is 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole is COc1ccccc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21.
What is the InChIKey of 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
The InChIKey is BGFPTXWWXLVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-10-16(23-27-13)12-26-20-19-17(21-14(2)22-20)8-9-24(19)11-15-6-4-5-7-18(15)25-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole has a molecular weight of 364.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 121401348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).