3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole

C18H22N6O — CID 110129447

IUPAC3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc(C2CCCN2Cc2cn(C)cn2)n1
InChIInChI=1S/C18H22N6O/c1-12-18(13(2)25-22-12)16-8-19-7-15(21-16)17-5-4-6-24(17)10-14-9-23(3)11-20-14/h7-9,11,17H,4-6,10H2,1-3H3
InChIKeyXFAZHDJGTHJNAZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.82
Rot. Bonds4

About 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole (PubChem CID 110129447) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
PubChem CID110129447
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc(C2CCCN2Cc2cn(C)cn2)n1
InChIInChI=1S/C18H22N6O/c1-12-18(13(2)25-22-12)16-8-19-7-15(21-16)17-5-4-6-24(17)10-14-9-23(3)11-20-14/h7-9,11,17H,4-6,10H2,1-3H3
InChIKeyXFAZHDJGTHJNAZ-UHFFFAOYSA-N
XLogP2.82
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole (CID 110129447) is 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1cncc(C2CCCN2Cc2cn(C)cn2)n1.
What is the InChIKey of 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The InChIKey is XFAZHDJGTHJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-18(13(2)25-22-12)16-8-19-7-15(21-16)17-5-4-6-24(17)10-14-9-23(3)11-20-14/h7-9,11,17H,4-6,10H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole has a molecular weight of 338.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 110129447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).