(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone

C15H23N3O4S — CID 78084524

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone
SMILESCCCN1CCN(C(=O)c2nc(C)oc2C)C2CS(=O)(=O)CC21
InChIInChI=1S/C15H23N3O4S/c1-4-5-17-6-7-18(13-9-23(20,21)8-12(13)17)15(19)14-10(2)22-11(3)16-14/h12-13H,4-9H2,1-3H3
InChIKeyLLKHSAHFBNRXFL-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.62
Rot. Bonds3

About (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone (PubChem CID 78084524) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone
PubChem CID78084524
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone
SMILESCCCN1CCN(C(=O)c2nc(C)oc2C)C2CS(=O)(=O)CC21
InChIInChI=1S/C15H23N3O4S/c1-4-5-17-6-7-18(13-9-23(20,21)8-12(13)17)15(19)14-10(2)22-11(3)16-14/h12-13H,4-9H2,1-3H3
InChIKeyLLKHSAHFBNRXFL-UHFFFAOYSA-N
XLogP0.62
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone (CID 78084524) is (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone is CCCN1CCN(C(=O)c2nc(C)oc2C)C2CS(=O)(=O)CC21.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone?
The InChIKey is LLKHSAHFBNRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-5-17-6-7-18(13-9-23(20,21)8-12(13)17)15(19)14-10(2)22-11(3)16-14/h12-13H,4-9H2,1-3H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone is sourced from PubChem (CID 78084524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).