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

C14H16N6O — CID 36725973

IUPAC5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2c2ncnc3c2cnn3C)no1
InChIInChI=1S/C14H16N6O/c1-9-6-11(18-21-9)12-4-3-5-20(12)14-10-7-17-19(2)13(10)15-8-16-14/h6-8,12H,3-5H2,1-2H3/t12-/m0/s1
InChIKeyIBYRHFNYDDOKLI-LBPRGKRZSA-N
MW284.32 g/mol
LogP2.00
Rot. Bonds2

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

5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 36725973) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole
PubChem CID36725973
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2c2ncnc3c2cnn3C)no1
InChIInChI=1S/C14H16N6O/c1-9-6-11(18-21-9)12-4-3-5-20(12)14-10-7-17-19(2)13(10)15-8-16-14/h6-8,12H,3-5H2,1-2H3/t12-/m0/s1
InChIKeyIBYRHFNYDDOKLI-LBPRGKRZSA-N
XLogP2.00
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591726
1-Propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591906
3-(5-Cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591909
1-Cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591922
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591927
3-(5-Cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592010
3-(5-Benzyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592021
3-(5-Phenyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592031
3-(5-Tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592159
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592165
3-(5-Ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592367

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole (CID 36725973) is 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCCN2c2ncnc3c2cnn3C)no1.
What is the InChIKey of 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is IBYRHFNYDDOKLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-6-11(18-21-9)12-4-3-5-20(12)14-10-7-17-19(2)13(10)15-8-16-14/h6-8,12H,3-5H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole?
5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 284.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 36725973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).