2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C19H21FN4O4 — CID 24734178

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCc1noc(C)c1N1C(=O)C2CN(CCOc3ccc(F)cc3)CCN2C1=O
InChIInChI=1S/C19H21FN4O4/c1-12-17(13(2)28-21-12)24-18(25)16-11-22(7-8-23(16)19(24)26)9-10-27-15-5-3-14(20)4-6-15/h3-6,16H,7-11H2,1-2H3
InChIKeyHRFRNJVBIGJTRD-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.96
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 24734178) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID24734178
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCc1noc(C)c1N1C(=O)C2CN(CCOc3ccc(F)cc3)CCN2C1=O
InChIInChI=1S/C19H21FN4O4/c1-12-17(13(2)28-21-12)24-18(25)16-11-22(7-8-23(16)19(24)26)9-10-27-15-5-3-14(20)4-6-15/h3-6,16H,7-11H2,1-2H3
InChIKeyHRFRNJVBIGJTRD-UHFFFAOYSA-N
XLogP1.96
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 24734178) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is Cc1noc(C)c1N1C(=O)C2CN(CCOc3ccc(F)cc3)CCN2C1=O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is HRFRNJVBIGJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-12-17(13(2)28-21-12)24-18(25)16-11-22(7-8-23(16)19(24)26)9-10-27-15-5-3-14(20)4-6-15/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 388.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[2-(4-fluorophenoxy)ethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 24734178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).