2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole

C14H18N4O — CID 125008814

IUPAC2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole
SMILESCC(C)N1CCC[C@@H]1c1cncc(-c2ncco2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)18-6-3-4-13(18)11-8-15-9-12(17-11)14-16-5-7-19-14/h5,7-10,13H,3-4,6H2,1-2H3/t13-/m1/s1
InChIKeyUXWMWYXXRFVBTB-CYBMUJFWSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds3

About 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole

2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole (PubChem CID 125008814) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole
PubChem CID125008814
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole
SMILESCC(C)N1CCC[C@@H]1c1cncc(-c2ncco2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)18-6-3-4-13(18)11-8-15-9-12(17-11)14-16-5-7-19-14/h5,7-10,13H,3-4,6H2,1-2H3/t13-/m1/s1
InChIKeyUXWMWYXXRFVBTB-CYBMUJFWSA-N
XLogP2.68
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole (CID 125008814) is 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole is CC(C)N1CCC[C@@H]1c1cncc(-c2ncco2)n1.
What is the InChIKey of 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is UXWMWYXXRFVBTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)18-6-3-4-13(18)11-8-15-9-12(17-11)14-16-5-7-19-14/h5,7-10,13H,3-4,6H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole?
2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 258.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 125008814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).