5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole

C11H11N5OS — CID 42106571

IUPAC5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2ncnc3c2cnn3C)no1
InChIInChI=1S/C11H11N5OS/c1-7-3-8(15-17-7)5-18-11-9-4-14-16(2)10(9)12-6-13-11/h3-4,6H,5H2,1-2H3
InChIKeyCPJOMGVVDGRPLF-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.95
Rot. Bonds3

About 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole

5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 42106571) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID42106571
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2ncnc3c2cnn3C)no1
InChIInChI=1S/C11H11N5OS/c1-7-3-8(15-17-7)5-18-11-9-4-14-16(2)10(9)12-6-13-11/h3-4,6H,5H2,1-2H3
InChIKeyCPJOMGVVDGRPLF-UHFFFAOYSA-N
XLogP1.95
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole (CID 42106571) is 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole is Cc1cc(CSc2ncnc3c2cnn3C)no1.
What is the InChIKey of 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is CPJOMGVVDGRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-3-8(15-17-7)5-18-11-9-4-14-16(2)10(9)12-6-13-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole?
5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 261.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 42106571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).