3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide

C13H16N4O2 — CID 86794715

IUPAC3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)Nc2cnccn2)on1
InChIInChI=1S/C13H16N4O2/c1-3-9(4-2)10-7-11(19-17-10)13(18)16-12-8-14-5-6-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyLBXYQQRCXLHEOP-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.62
Rot. Bonds5

About 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide

3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 86794715) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
PubChem CID86794715
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)Nc2cnccn2)on1
InChIInChI=1S/C13H16N4O2/c1-3-9(4-2)10-7-11(19-17-10)13(18)16-12-8-14-5-6-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyLBXYQQRCXLHEOP-UHFFFAOYSA-N
XLogP2.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide (CID 86794715) is 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)Nc2cnccn2)on1.
What is the InChIKey of 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is LBXYQQRCXLHEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-9(4-2)10-7-11(19-17-10)13(18)16-12-8-14-5-6-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,18).
What are the key properties of 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide?
3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86794715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).