5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole

C13H16N4O — CID 124975748

IUPAC5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC[C@@H]2c2cnccn2)no1
InChIInChI=1S/C13H16N4O/c1-10-7-11(16-18-10)9-17-6-2-3-13(17)12-8-14-4-5-15-12/h4-5,7-8,13H,2-3,6,9H2,1H3/t13-/m1/s1
InChIKeyLAIOJWFUCLFFRX-CYBMUJFWSA-N
MW244.30 g/mol
LogP2.11
Rot. Bonds3

About 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 124975748) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID124975748
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC[C@@H]2c2cnccn2)no1
InChIInChI=1S/C13H16N4O/c1-10-7-11(16-18-10)9-17-6-2-3-13(17)12-8-14-4-5-15-12/h4-5,7-8,13H,2-3,6,9H2,1H3/t13-/m1/s1
InChIKeyLAIOJWFUCLFFRX-CYBMUJFWSA-N
XLogP2.11
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole (CID 124975748) is 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCC[C@@H]2c2cnccn2)no1.
What is the InChIKey of 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is LAIOJWFUCLFFRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-7-11(16-18-10)9-17-6-2-3-13(17)12-8-14-4-5-15-12/h4-5,7-8,13H,2-3,6,9H2,1H3/t13-/m1/s1.
What are the key properties of 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 244.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 124975748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).