2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C13H17N3O3 — CID 75422761

IUPAC2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCCc1cnc(CN2C(=O)C3CCCCN3C2=O)o1
InChIInChI=1S/C13H17N3O3/c1-2-9-7-14-11(19-9)8-16-12(17)10-5-3-4-6-15(10)13(16)18/h7,10H,2-6,8H2,1H3
InChIKeyLSPOQIRTWIEVPS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.55
Rot. Bonds3

About 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 75422761) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID75422761
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCCc1cnc(CN2C(=O)C3CCCCN3C2=O)o1
InChIInChI=1S/C13H17N3O3/c1-2-9-7-14-11(19-9)8-16-12(17)10-5-3-4-6-15(10)13(16)18/h7,10H,2-6,8H2,1H3
InChIKeyLSPOQIRTWIEVPS-UHFFFAOYSA-N
XLogP1.55
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 75422761) is 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is CCc1cnc(CN2C(=O)C3CCCCN3C2=O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is LSPOQIRTWIEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-9-7-14-11(19-9)8-16-12(17)10-5-3-4-6-15(10)13(16)18/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 263.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 75422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).