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;hydrochloride

C19H22ClFN4O4 — CID 24734177

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;hydrochloride
SMILESCc1noc(C)c1N1C(=O)C2CN(CCOc3ccc(F)cc3)CCN2C1=O.Cl
InChIInChI=1S/C19H21FN4O4.ClH/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;1H
InChIKeyVCUVDAWEGOYGHX-UHFFFAOYSA-N
MW424.86 g/mol
LogP2.38
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;hydrochloride

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;hydrochloride (PubChem CID 24734177) has the molecular formula C19H22ClFN4O4 and a molecular weight of 424.86 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;hydrochloride.

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;hydrochloride
PubChem CID24734177
Molecular FormulaC19H22ClFN4O4
Molecular Weight424.86 g/mol
Exact Mass424.13
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;hydrochloride
SMILESCc1noc(C)c1N1C(=O)C2CN(CCOc3ccc(F)cc3)CCN2C1=O.Cl
InChIInChI=1S/C19H21FN4O4.ClH/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;1H
InChIKeyVCUVDAWEGOYGHX-UHFFFAOYSA-N
XLogP2.38
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 52.38
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;hydrochloride?
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;hydrochloride (CID 24734177) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cc1noc(C)c1N1C(=O)C2CN(CCOc3ccc(F)cc3)CCN2C1=O.Cl.
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;hydrochloride?
The InChIKey is VCUVDAWEGOYGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4.ClH/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;1H.
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;hydrochloride?
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;hydrochloride has a molecular weight of 424.86 g/mol, XLogP of 2.38, 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;hydrochloride is sourced from PubChem (CID 24734177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).