7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane

C19H26N4O3 — CID 159154161

IUPAC7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane
SMILESC.Cc1noc(C)c1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O
InChIInChI=1S/C18H22N4O3.CH4/c1-11-9-22-16(8-19-17(22)14-4-6-24-7-5-14)18(23)21(11)10-15-12(2)20-25-13(15)3;/h8-9,14H,4-7,10H2,1-3H3;1H4
InChIKeyKJRHDZVYRSJGEO-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.99
Rot. Bonds3

About 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane

7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane (PubChem CID 159154161) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane.

Molecular Properties

Compound Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane
PubChem CID159154161
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane
SMILESC.Cc1noc(C)c1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O
InChIInChI=1S/C18H22N4O3.CH4/c1-11-9-22-16(8-19-17(22)14-4-6-24-7-5-14)18(23)21(11)10-15-12(2)20-25-13(15)3;/h8-9,14H,4-7,10H2,1-3H3;1H4
InChIKeyKJRHDZVYRSJGEO-UHFFFAOYSA-N
XLogP2.99
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane?
The IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane (CID 159154161) is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane.
What is the SMILES notation for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane?
The canonical SMILES for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane is C.Cc1noc(C)c1Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O.
What is the InChIKey of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane?
The InChIKey is KJRHDZVYRSJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.CH4/c1-11-9-22-16(8-19-17(22)14-4-6-24-7-5-14)18(23)21(11)10-15-12(2)20-25-13(15)3;/h8-9,14H,4-7,10H2,1-3H3;1H4.
What are the key properties of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane?
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane has a molecular weight of 358.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane is sourced from PubChem (CID 159154161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).