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

C13H17N3O3 — CID 81174234

IUPAC3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1Cc1ccon1
InChIInChI=1S/C13H17N3O3/c1-9-12(17)15-6-3-2-4-11(15)13(18)16(9)8-10-5-7-19-14-10/h5,7,9,11H,2-4,6,8H2,1H3
InChIKeyQFSWCCALQRAETB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.79
Rot. Bonds2

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

3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 81174234) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID81174234
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1Cc1ccon1
InChIInChI=1S/C13H17N3O3/c1-9-12(17)15-6-3-2-4-11(15)13(18)16(9)8-10-5-7-19-14-10/h5,7,9,11H,2-4,6,8H2,1H3
InChIKeyQFSWCCALQRAETB-UHFFFAOYSA-N
XLogP0.79
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932817
2-[(5-ethylthiophen-2-yl)methyl]-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106009295
3-methyl-2-(1,2-oxazol-5-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106422203
2-[(4-ethylphenyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106900870
2-[(4-chlorophenyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944263
6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 81177581
3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932973
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115825010
(3S,8aS)-3-methyl-2-[(4-phenylphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165428592
2-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924887
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106421935
(3S,8aR)-3-methyl-2-[(4-methylsulfonylphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165420670

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 81174234) is 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1C(=O)N2CCCCC2C(=O)N1Cc1ccon1.
What is the InChIKey of 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is QFSWCCALQRAETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-12(17)15-6-3-2-4-11(15)13(18)16(9)8-10-5-7-19-14-10/h5,7,9,11H,2-4,6,8H2,1H3.
What are the key properties of 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2-oxazol-3-ylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 81174234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).