2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C15H21N3O3 — CID 106422187

IUPAC2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1Cc1ccno1
InChIInChI=1S/C15H21N3O3/c1-10(2)13-15(20)17-8-4-3-5-12(17)14(19)18(13)9-11-6-7-16-21-11/h6-7,10,12-13H,3-5,8-9H2,1-2H3
InChIKeyQXEXFHLLIDPBJE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.42
Rot. Bonds3

About 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 106422187) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID106422187
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1Cc1ccno1
InChIInChI=1S/C15H21N3O3/c1-10(2)13-15(20)17-8-4-3-5-12(17)14(19)18(13)9-11-6-7-16-21-11/h6-7,10,12-13H,3-5,8-9H2,1-2H3
InChIKeyQXEXFHLLIDPBJE-UHFFFAOYSA-N
XLogP1.42
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 106422187) is 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCCC2C(=O)N1Cc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is QXEXFHLLIDPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)13-15(20)17-8-4-3-5-12(17)14(19)18(13)9-11-6-7-16-21-11/h6-7,10,12-13H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 106422187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).