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

C15H20N4O — CID 110131562

IUPAC2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
SMILESCC(C)N1CCC(Cc2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C15H20N4O/c1-11(2)19-5-3-12(10-19)7-13-8-18-14(9-17-13)15-16-4-6-20-15/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3
InChIKeyAFRXXXOHPMGSTK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds4

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

2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole (PubChem CID 110131562) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
PubChem CID110131562
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
SMILESCC(C)N1CCC(Cc2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C15H20N4O/c1-11(2)19-5-3-12(10-19)7-13-8-18-14(9-17-13)15-16-4-6-20-15/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3
InChIKeyAFRXXXOHPMGSTK-UHFFFAOYSA-N
XLogP2.40
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole (CID 110131562) is 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole is CC(C)N1CCC(Cc2cnc(-c3ncco3)cn2)C1.
What is the InChIKey of 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is AFRXXXOHPMGSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19-5-3-12(10-19)7-13-8-18-14(9-17-13)15-16-4-6-20-15/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3.
What are the key properties of 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 272.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 110131562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).