5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

C15H18N6O2 — CID 135104274

IUPAC5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(c2ncnc3nc[nH]c23)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C15H18N6O2/c1-9-3-11(23-20-9)4-10-5-21(6-12(10)22-2)15-13-14(17-7-16-13)18-8-19-15/h3,7-8,10,12H,4-6H2,1-2H3,(H,16,17,18,19)/t10-,12+/m1/s1
InChIKeyZBXUTPDTOFKWCT-PWSUYJOCSA-N
MW314.35 g/mol
LogP1.34
Rot. Bonds4

About 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 135104274) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID135104274
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(c2ncnc3nc[nH]c23)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C15H18N6O2/c1-9-3-11(23-20-9)4-10-5-21(6-12(10)22-2)15-13-14(17-7-16-13)18-8-19-15/h3,7-8,10,12H,4-6H2,1-2H3,(H,16,17,18,19)/t10-,12+/m1/s1
InChIKeyZBXUTPDTOFKWCT-PWSUYJOCSA-N
XLogP1.34
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (CID 135104274) is 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is CO[C@H]1CN(c2ncnc3nc[nH]c23)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is ZBXUTPDTOFKWCT-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9-3-11(23-20-9)4-10-5-21(6-12(10)22-2)15-13-14(17-7-16-13)18-8-19-15/h3,7-8,10,12H,4-6H2,1-2H3,(H,16,17,18,19)/t10-,12+/m1/s1.
What are the key properties of 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 314.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-4-methoxy-1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 135104274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).